Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

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121 – 135 of 1,059 results

121

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Methyl 2-nitrobenzoate, 98+%

CAS: 606-27-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007136 InChI Key: AOXPHVNMBPFOFS-UHFFFAOYSA-N Synonym: methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester PubChem CID: 69072 IUPAC Name: methyl 2-nitrobenzoate SMILES: COC(=O)C1=CC=CC=C1[N+](=O)[O-]

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Specifications

PubChem CID	69072
CAS	606-27-9
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007136
SMILES	COC(=O)C1=CC=CC=C1[N+](=O)[O-]
Synonym	methyl o-nitrobenzoate,benzoic acid, 2-nitro-, methyl ester,2-nitro-benzoic acid methyl ester,benzoic acid, o-nitro-, methyl ester,2-nitrobenzoic acid methyl ester,methyl-2-nitrobenzoate,methyl o-nitro benzoate,methyl ortho-nitrobenzoate,acmc-209ml4,nitrobenzoic acid methyl ester
IUPAC Name	methyl 2-nitrobenzoate
InChI Key	AOXPHVNMBPFOFS-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

122

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2-Fluoro-6-nitrobenzoic acid, 98%

CAS: 385-02-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD01862079 InChI Key: MPDZCNPDHUUPRL-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b PubChem CID: 603758 SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	603758
CAS	385-02-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD01862079
SMILES	C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
Synonym	2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b
InChI Key	MPDZCNPDHUUPRL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

123

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4-Nitro-2-(trifluoromethyl)benzoic acid, 97%

CAS: 320-37-6 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.12 MDL Number: MFCD04039246 InChI Key: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid PubChem CID: 2782737 IUPAC Name: 4-nitro-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F

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Specifications

PubChem CID	2782737
CAS	320-37-6
Molecular Weight (g/mol)	235.12
MDL Number	MFCD04039246
SMILES	OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
Synonym	4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid
IUPAC Name	4-nitro-2-(trifluoromethyl)benzoic acid
InChI Key	BPCKZQCTLCTDST-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

124

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Sodium 3-nitrobenzoate, 94%, may contain up to ca 10% water

CAS: 827-95-2 Molecular Formula: C7H4NNaO4 Molecular Weight (g/mol): 189.10 MDL Number: MFCD00150535,MFCD00051097 InChI Key: MUADFEZFSKAZLT-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733 PubChem CID: 70014 IUPAC Name: sodium;3-nitrobenzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O

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Specifications

PubChem CID	70014
CAS	827-95-2
Molecular Weight (g/mol)	189.10
MDL Number	MFCD00150535,MFCD00051097
SMILES	[Na+].[O-]C(=O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym	sodium 3-nitrobenzoate,3-nitrobenzoic acid sodium salt,benzoic acid, 3-nitro-, sodium salt,unii-i1eq837b3j,m-nitrobenzoic acid sodium salt,sodium m-nitrobenzoate,benzoic acid, 3-nitro-, sodium salt 1:1,3-nitrobenzoic acid, sodium salt,acmc-209pqe,dsstox_cid_24733
IUPAC Name	sodium;3-nitrobenzoate
InChI Key	MUADFEZFSKAZLT-UHFFFAOYSA-M
Molecular Formula	C7H4NNaO4

125

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Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%

CAS: 5081-42-5 Molecular Formula: C11H13NO7 Molecular Weight (g/mol): 271.225 MDL Number: MFCD00007097 InChI Key: HCEIEWYPDCDNNU-UHFFFAOYSA-N Synonym: methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate PubChem CID: 78765 IUPAC Name: methyl 3,4,5-trimethoxy-2-nitrobenzoate SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC

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Specifications

PubChem CID	78765
CAS	5081-42-5
Molecular Weight (g/mol)	271.225
MDL Number	MFCD00007097
SMILES	COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC
Synonym	methyl 2-nitro-3,4,5-trimethoxybenzoate,methyl 6-nitro-3,4,5-trimethoxybenzoate,3,4,5-trimethoxy-2-nitrobenzoic acid methyl ester,benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester,2-nitro-3,4,5-trimethoxybenzoic acid methyl ester,pubchem22545,opera_id_1985,acmc-1ar8w,hceiewypdcdnnu-uhfffaoysa,methyl 3,5-trimethoxy-2-nitrobenzoate
IUPAC Name	methyl 3,4,5-trimethoxy-2-nitrobenzoate
InChI Key	HCEIEWYPDCDNNU-UHFFFAOYSA-N
Molecular Formula	C11H13NO7

126

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Methyl 2-bromo-5-nitrobenzoate, 98+%

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	245494
CAS	6942-36-5
Molecular Weight (g/mol)	260.043
MDL Number	MFCD00010867
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name	methyl 2-bromo-5-nitrobenzoate
InChI Key	VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

127

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2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00024261 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

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PubChem CID	219633
CAS	606-18-8
Molecular Weight (g/mol)	182.135
MDL Number	MFCD00024261
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym	2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

128

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3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

129

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4-Methoxycarbonyl-2-nitrobenzeneboronic acid, 97%

CAS: 85107-55-7 Molecular Formula: C8H8BNO6 Molecular Weight (g/mol): 224.963 MDL Number: MFCD01632202 InChI Key: SFEJGHJCGQNFQC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d PubChem CID: 2773493 IUPAC Name: (4-methoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O

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Specifications

PubChem CID	2773493
CAS	85107-55-7
Molecular Weight (g/mol)	224.963
MDL Number	MFCD01632202
SMILES	B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O
Synonym	4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d
IUPAC Name	(4-methoxycarbonyl-2-nitrophenyl)boronic acid
InChI Key	SFEJGHJCGQNFQC-UHFFFAOYSA-N
Molecular Formula	C8H8BNO6

130

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5-Methoxy-2-nitrobenzoic acid, 97%

CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	339209
CAS	1882-69-5
Molecular Weight (g/mol)	196.14
MDL Number	MFCD00151836
SMILES	COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Synonym	5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid
IUPAC Name	5-methoxy-2-nitrobenzoate
InChI Key	URADKXVAIGMTEG-UHFFFAOYSA-M
Molecular Formula	C8H6NO5

131

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2-Chloro-6-nitrobenzoic acid, 99%

CAS: 5344-49-0 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00100425 InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # PubChem CID: 79287 SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	79287
CAS	5344-49-0
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00100425
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
Synonym	2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid #
InChI Key	JYHOMEFOTKWQPN-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

132

3-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4771-47-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 InChI Key: VCHSXYHBMFKRBK-UHFFFAOYSA-N Synonym: 3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n PubChem CID: 20902 SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	20902
CAS	4771-47-5
Molecular Weight (g/mol)	201.562
SMILES	C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O
Synonym	3-chloro-2-nitrobenzoic acid,benzoic acid, 3-chloro-2-nitro,3-chloro-2-nitrobenzoicacid,3-chloro-2-nitro-benzoic acid,chlornitrobenzoesaure,pubchem11043,chloro-2-nitrobenzoic acid,acmc-209ka6,3-chloro2-nitrobenzoic acid,ksc237s1n
InChI Key	VCHSXYHBMFKRBK-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

133

2-Methyl-6-nitrobenzoic Anhydride 98.0+%, TCI America™

CAS: 434935-69-0 Molecular Formula: C16H12N2O7 Molecular Weight (g/mol): 344.279 MDL Number: MFCD06797117 InChI Key: YEKPNMQQSPHKBP-UHFFFAOYSA-N Synonym: 6-Nitro-o-toluic Anhydride, MNBA PubChem CID: 10472648 IUPAC Name: (2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

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Specifications

PubChem CID	10472648
CAS	434935-69-0
Molecular Weight (g/mol)	344.279
MDL Number	MFCD06797117
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C
Synonym	6-Nitro-o-toluic Anhydride, MNBA
IUPAC Name	(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate
InChI Key	YEKPNMQQSPHKBP-UHFFFAOYSA-N
Molecular Formula	C16H12N2O7

134

Methyl 2-Methyl-5-nitrobenzoate 98.0+%, TCI America™

CAS: 77324-87-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 InChI Key: TVGKPVDDCDQBRC-UHFFFAOYSA-N Synonym: methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b PubChem CID: 4377758 IUPAC Name: methyl 2-methyl-5-nitrobenzoate SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	4377758
CAS	77324-87-9
Molecular Weight (g/mol)	195.174
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym	methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b
IUPAC Name	methyl 2-methyl-5-nitrobenzoate
InChI Key	TVGKPVDDCDQBRC-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

135

5,5'-Dithiobis(2-nitrobenzoic Acid) 98.0+%, TCI America™

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

Nitrobenzoic acids and derivatives

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