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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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Physical Form

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1 – 15 of 217 results
1

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

PubChem CID 83343
CAS 13324-11-3
Molecular Weight (g/mol) 215.59
MDL Number MFCD00017013
SMILES COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name methyl 2-chloro-4-nitrobenzoate
InChI Key PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
2

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

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
3

4-Hydroxy-3-nitrobenzoic acid, 98%

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

PubChem CID 12033
CAS 616-82-0
Molecular Weight (g/mol) 183.12
MDL Number MFCD00007119
SMILES OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name 4-hydroxy-3-nitrobenzoic acid
InChI Key QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
4

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

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
5

Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014696 InChI Key: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonym: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester PubChem CID: 69123 IUPAC Name: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

PubChem CID 69123
CAS 610-34-4
Molecular Weight (g/mol) 195.17
MDL Number MFCD00014696
SMILES CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Synonym ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
IUPAC Name ethyl 2-nitrobenzoate
InChI Key CPNMAYYYYSWTIV-UHFFFAOYSA-N
Molecular Formula C9H9NO4
6

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-]

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
7

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 616602
CAS 328-80-3
Molecular Weight (g/mol) 235.118
MDL Number MFCD00024509
SMILES C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4
8

2,5-Difluoro-4-nitrobenzoic acid, 97%

CAS: 116465-48-6 Molecular Formula: C7H3F2NO4 Molecular Weight (g/mol): 203.101 MDL Number: MFCD03425705 InChI Key: GPTNSBLYGCZJQV-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l PubChem CID: 246375 SMILES: C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O

PubChem CID 246375
CAS 116465-48-6
Molecular Weight (g/mol) 203.101
MDL Number MFCD03425705
SMILES C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
Synonym 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l
InChI Key GPTNSBLYGCZJQV-UHFFFAOYSA-N
Molecular Formula C7H3F2NO4
9

3,5-Dinitrobenzoic acid, 98+%

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7433
CAS 99-34-3
Molecular Weight (g/mol) 212.12
ChEBI CHEBI:73914
MDL Number MFCD00007253
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name 3,5-dinitrobenzoic acid
InChI Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
10

Methyl 4,5-dimethoxy-2-nitrobenzoate, 97%

CAS: 26791-93-5 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00007239 InChI Key: SYYKLKHBZGFKOC-UHFFFAOYSA-N Synonym: methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate PubChem CID: 117867 IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate SMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC

PubChem CID 117867
CAS 26791-93-5
Molecular Weight (g/mol) 241.199
MDL Number MFCD00007239
SMILES COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC
Synonym methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate
IUPAC Name methyl 4,5-dimethoxy-2-nitrobenzoate
InChI Key SYYKLKHBZGFKOC-UHFFFAOYSA-N
Molecular Formula C10H11NO6
11

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

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
12

4-Nitrobenzoic acid, 99%

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
13

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

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
14

4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 MDL Number: MFCD00014697

CAS 4998-07-6
MDL Number MFCD00014697
15

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

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

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