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.

76 – 90 of 635 results

Ethyl 3-nitrobenzoate, 98+%

CAS: 618-98-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00014702 InChI Key: MKBIJCPQTPFQKQ-UHFFFAOYSA-N Synonym: ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline PubChem CID: 69261 IUPAC Name: ethyl 3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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PubChem CID	69261
CAS	618-98-4
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00014702
SMILES	CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline
IUPAC Name	ethyl 3-nitrobenzoate
InChI Key	MKBIJCPQTPFQKQ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

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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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

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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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

4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 878572-17-9 Molecular Formula: C8H3F4NO4 Molecular Weight (g/mol): 253.109 MDL Number: MFCD08282778 InChI Key: XCZRYPKVIJEHSU-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl PubChem CID: 24721083 IUPAC Name: 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	24721083
CAS	878572-17-9
Molecular Weight (g/mol)	253.109
MDL Number	MFCD08282778
SMILES	C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O
Synonym	4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl
IUPAC Name	4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI Key	XCZRYPKVIJEHSU-UHFFFAOYSA-N
Molecular Formula	C8H3F4NO4

5-Fluoro-2-nitrobenzoic acid, 98%

CAS: 320-98-9 Molecular Formula: C₇H₄FNO₄ Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]

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PubChem CID	2737420
CAS	320-98-9
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00055635
SMILES	C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
Synonym	5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid
InChI Key	GHYZIXDKAPMFCS-UHFFFAOYSA-N
Molecular Formula	C₇H₄FNO₄

2-Hydroxy-4-nitrobenzoic acid, 97%

CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O

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PubChem CID	69266
CAS	619-19-2
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00071505
SMILES	OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
Synonym	4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure
IUPAC Name	2-hydroxy-4-nitrobenzoic acid
InChI Key	UKWUOTZGXIZAJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

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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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

1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989

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CAS	4965-09-7
MDL Number	MFCD00798989

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

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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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

Dimethyl 3-nitrophthalate, 98%

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

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PubChem CID	249912
CAS	13365-26-9
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00017184
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name	dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key	MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

5-Nitrosalicylic acid, 98%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

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PubChem CID	7318
CAS	96-97-9
Molecular Weight (g/mol)	183.119
ChEBI	CHEBI:61281
MDL Number	MFCD00007338
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym	5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key	PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

2-Methyl-6-nitrobenzoic acid, 98%

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007267 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	16097
CAS	13506-76-8
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007267
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
InChI Key	CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

Methyl 2-methyl-3-nitrobenzoate, 97%

CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	601165
CAS	59382-59-1
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00082564
SMILES	COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
Synonym	benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

2-Fluoro-4-nitrobenzoic acid, 95+%, Thermo Scientific™

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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Specifications

PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

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Nitrobenzoic acids and derivatives

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