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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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1 – 15 de 113 résultats
1

4-Nitrobenzoic acid, 99+%

CAS: 62-23-7 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007352 Clé InChI: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 167.12
Synonyme 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
Numéro MDL MFCD00007352
CAS 62-23-7
CID PubChem 6108
ChEBI CHEBI:262350
Clé InChI OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Formule moléculaire C7H5NO4
2

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Formule moléculaire: C7H5NO5 Poids moléculaire (g/mol): 183.12 Numéro MDL: MFCD00007110 Clé InChI: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 69265 Nom IUPAC: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

Poids moléculaire (g/mol) 183.12
Synonyme 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
Numéro MDL MFCD00007110
CAS 619-14-7
CID PubChem 69265
Nom IUPAC 3-hydroxy-4-nitrobenzoic acid
Clé InChI XLDLRRGZWIEEHT-UHFFFAOYSA-N
SMILES OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Formule moléculaire C7H5NO5
3

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.15 Numéro MDL: MFCD00007250 Clé InChI: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonyme: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate CID PubChem: 69260 Nom IUPAC: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.15
Synonyme 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
Numéro MDL MFCD00007250
CAS 618-95-1
CID PubChem 69260
Nom IUPAC methyl 3-nitrobenzoate
Clé InChI AXLYJLKKPUICKV-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Formule moléculaire C8H7NO4
4

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00007351 Clé InChI: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonyme: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate CID PubChem: 7457 Nom IUPAC: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Poids moléculaire (g/mol) 195.17
Synonyme ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
Numéro MDL MFCD00007351
CAS 99-77-4
CID PubChem 7457
Nom IUPAC ethyl 4-nitrobenzoate
Clé InChI PHWSCBWNPZDYRI-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Formule moléculaire C9H9NO4
5

5-chloro-2-nitrobenzoic acid, 99%

CAS: 2516-95-2 Formule moléculaire: C7H4ClNO4 Poids moléculaire (g/mol): 201.57 Numéro MDL: MFCD00007290 Clé InChI: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonyme: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate CID PubChem: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 201.57
Synonyme 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate
Numéro MDL MFCD00007290
CAS 2516-95-2
CID PubChem 17286
Clé InChI ZKUYSJHXBFFGPU-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Formule moléculaire C7H4ClNO4
6

3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007251 Clé InChI: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonyme: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid CID PubChem: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 167.12
Synonyme 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
Numéro MDL MFCD00007251
CAS 121-92-6
CID PubChem 8497
Clé InChI AFPHTEQTJZKQAQ-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Formule moléculaire C7H5NO4
7

Methyl 4-chloro-3-nitrobenzoate, 98%

CAS: 14719-83-6 Formule moléculaire: C8H6ClNO4 Poids moléculaire (g/mol): 215.59 Numéro MDL: MFCD00016989 Clé InChI: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonyme: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate CID PubChem: 735797 Nom IUPAC: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

Poids moléculaire (g/mol) 215.59
Synonyme methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate
Numéro MDL MFCD00016989
CAS 14719-83-6
CID PubChem 735797
Nom IUPAC methyl 4-chloro-3-nitrobenzoate
Clé InChI XRTKWPWDSUNLHS-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Formule moléculaire C8H6ClNO4
8

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Formule moléculaire: C8H5NO6 Poids moléculaire (g/mol): 211.13 Clé InChI: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Poids moléculaire (g/mol) 211.13
Synonyme 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
CAS 603-11-2
CID PubChem 69043
Clé InChI KFIRODWJCYBBHY-UHFFFAOYSA-N
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Formule moléculaire C8H5NO6
9

Methyl 3-hydroxy-4-nitrobenzoate, 98%

CAS: 713-52-0 Formule moléculaire: C8H7NO5 Poids moléculaire (g/mol): 197.146 Numéro MDL: MFCD00016997 Clé InChI: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonyme: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate CID PubChem: 294866 Nom IUPAC: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

Poids moléculaire (g/mol) 197.146
Synonyme benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
Numéro MDL MFCD00016997
CAS 713-52-0
CID PubChem 294866
Nom IUPAC methyl 3-hydroxy-4-nitrobenzoate
Clé InChI UEGCRFNWTGYVKX-UHFFFAOYSA-N
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Formule moléculaire C8H7NO5
10

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

CAS: 2516-96-3 Formule moléculaire: C7H4ClNO4 Poids moléculaire (g/mol): 201.56 Numéro MDL: MFCD00007294 Clé InChI: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Poids moléculaire (g/mol) 201.56
Synonyme 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
Numéro MDL MFCD00007294
CAS 2516-96-3
CID PubChem 17287
Clé InChI QUEKGYQTRJVEQC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Formule moléculaire C7H4ClNO4
11

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Formule moléculaire: C8H7NO4 Poids moléculaire (g/mol): 181.15 Numéro MDL: MFCD00007174 Clé InChI: BBEWSMNRCUXQRF-UHFFFAOYSA-N CID PubChem: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 181.15
Numéro MDL MFCD00007174
CAS 96-98-0
CID PubChem 7319
Clé InChI BBEWSMNRCUXQRF-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Formule moléculaire C8H7NO4
12

2-Amino-4-nitrobenzoic acid, 97%

CAS: 619-17-0 Formule moléculaire: C7H6N2O4 Poids moléculaire (g/mol): 182.14 Numéro MDL: MFCD00007262 Clé InChI: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonyme: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 CID PubChem: 12076 ChEBI: CHEBI:75335 Nom IUPAC: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

Poids moléculaire (g/mol) 182.14
Synonyme 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
Numéro MDL MFCD00007262
CAS 619-17-0
CID PubChem 12076
ChEBI CHEBI:75335
Nom IUPAC 2-amino-4-nitrobenzoic acid
Clé InChI UEALKTCRMBVTFN-UHFFFAOYSA-N
SMILES NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Formule moléculaire C7H6N2O4
13

Nitroterephthalic acid, 99+%

CAS: 610-29-7 Formule moléculaire: C8H5NO6 Poids moléculaire (g/mol): 211.13 Numéro MDL: MFCD00007141 Clé InChI: QUMITRDILMWWBC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Poids moléculaire (g/mol) 211.13
Synonyme 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
Numéro MDL MFCD00007141
CAS 610-29-7
CID PubChem 69122
Clé InChI QUMITRDILMWWBC-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Formule moléculaire C8H5NO6
14

5-Methoxy-2-nitrobenzoic acid, 97%

CAS: 1882-69-5 Formule moléculaire: C8H6NO5 Poids moléculaire (g/mol): 196.14 Numéro MDL: MFCD00151836 Clé InChI: URADKXVAIGMTEG-UHFFFAOYSA-M Synonyme: 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 CID PubChem: 339209 Nom IUPAC: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

Poids moléculaire (g/mol) 196.14
Synonyme 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
Numéro MDL MFCD00151836
CAS 1882-69-5
CID PubChem 339209
Nom IUPAC 5-methoxy-2-nitrobenzoate
Clé InChI URADKXVAIGMTEG-UHFFFAOYSA-M
SMILES COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Formule moléculaire C8H6NO5
15

4-Nitrobenzoic acid, 99%

CAS: 62-23-7 Formule moléculaire: C7H5NO4 Poids moléculaire (g/mol): 167.12 Numéro MDL: MFCD00007352 Clé InChI: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Poids moléculaire (g/mol) 167.12
Synonyme 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
Numéro MDL MFCD00007352
CAS 62-23-7
CID PubChem 6108
ChEBI CHEBI:262350
Clé InChI OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Formule moléculaire C7H5NO4