Nitrobenzoic acids and derivatives

91 – 105 of 623 results

5-Hydroxy-2-nitrobenzoic acid, Thermo Scientific™

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

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

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

5-Nitroisophthalic acid, 97+%

CAS: 618-88-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007254 InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N Synonym: 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u PubChem CID: 12069 SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	12069
CAS	618-88-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007254
SMILES	C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u
InChI Key	NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

2-Nitro-4-(trifluoromethyl)benzoic acid, 98%

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00007142 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	642096
CAS	320-94-5
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00007142
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

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Specifications

PubChem CID	69043
CAS	603-11-2
Molecular Weight (g/mol)	211.13
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key	KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	69122
CAS	610-29-7
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007141
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym	nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

100

2-Amino-5-nitrobenzoic acid, 98%

CAS: 616-79-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017039 InChI Key: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonym: 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid PubChem CID: 12032 ChEBI: CHEBI:61280 IUPAC Name: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

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Specifications

PubChem CID	12032
CAS	616-79-5
Molecular Weight (g/mol)	182.14
ChEBI	CHEBI:61280
MDL Number	MFCD00017039
SMILES	NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Synonym	5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid
IUPAC Name	2-amino-5-nitrobenzoic acid
InChI Key	RUCHWTKMOWXHLU-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

101

3-Chloro-2-nitrobenzoic acid, 97%

CAS: 4771-47-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007087 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
MDL Number	MFCD00007087
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

102

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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Specifications

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

103

MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,

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

104

PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

105

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

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Nitrobenzoic acids and derivatives

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