Nitrobenzoic acids and derivatives

Nitrobenzoic acids and derivatives
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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 |
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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 |
3-Methyl-2-nitrobenzoic acid, 98%
CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
PubChem CID | 21575 |
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CAS | 5437-38-7 |
Molecular Weight (g/mol) | 181.15 |
MDL Number | MFCD00007180 |
SMILES | CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O |
Synonym | 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 |
IUPAC Name | 3-methyl-2-nitrobenzoic acid |
InChI Key | DGDAVTPQCQXLGU-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
5-Chloro-2,4-dinitrobenzoic acid, 98%
CAS: 136833-36-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00091829 InChI Key: VVQOEJCXWMGEJG-UHFFFAOYSA-N Synonym: 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid PubChem CID: 3727860 SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
PubChem CID | 3727860 |
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CAS | 136833-36-8 |
Molecular Weight (g/mol) | 246.559 |
MDL Number | MFCD00091829 |
SMILES | C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Synonym | 5-chloro-2,4-dinitrobenzoic acid,benzoic acid, 5-chloro-2,4-dinitro,acmc-20a30o,2,4-dinitro-5-chlorobenzoic acid,3-chloro-4,6-dinitrobenzoic acid |
InChI Key | VVQOEJCXWMGEJG-UHFFFAOYSA-N |
Molecular Formula | C7H3ClN2O6 |
Methyl 2-hydroxy-3-nitrobenzoate, 98%
CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
PubChem CID | 596904 |
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CAS | 22621-41-6 |
Molecular Weight (g/mol) | 197.146 |
MDL Number | MFCD00272263 |
SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
Synonym | methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l |
InChI Key | NIBVYEHAFBEVFI-UHFFFAOYSA-N |
Molecular Formula | C8H7NO5 |
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-]
PubChem CID | 69072 |
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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 |
Nitroterephthalic acid, 99%
CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 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
PubChem CID | 69122 |
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CAS | 610-29-7 |
Molecular Weight (g/mol) | 211.129 |
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 |
4-Bromomethyl-3-nitrobenzoic acid, 97%
CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
PubChem CID | 132386 |
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CAS | 55715-03-2 |
Molecular Weight (g/mol) | 260.043 |
MDL Number | MFCD00216575 |
SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr |
Synonym | 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid |
InChI Key | QMAHVAFURJBOFV-UHFFFAOYSA-N |
Molecular Formula | C8H6BrNO4 |
2-Bromo-5-nitrobenzoic acid, 98%
CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
PubChem CID | 243025 |
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CAS | 943-14-6 |
Molecular Weight (g/mol) | 246.016 |
MDL Number | MFCD00134558 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br |
Synonym | 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 |
InChI Key | UVFWYVCDRKRAJH-UHFFFAOYSA-N |
Molecular Formula | C7H4BrNO4 |
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
PubChem CID | 219633 |
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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 |
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
PubChem CID | 20902 |
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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 |
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 |
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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 |
2-Nitrobenzoic acid, 95%
CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
PubChem CID | 11087 |
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CAS | 552-16-9 |
Molecular Weight (g/mol) | 167.12 |
ChEBI | CHEBI:25620 |
MDL Number | MFCD00007137 |
SMILES | C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
Synonym | 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid |
InChI Key | SLAMLWHELXOEJZ-UHFFFAOYSA-N |
Molecular Formula | C7H5NO4 |
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
PubChem CID | 339209 |
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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 |
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
PubChem CID | 17287 |
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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 |
4-Methyl-3-nitrobenzoic acid, 99%
CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
PubChem CID | 7319 |
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CAS | 96-98-0 |
Molecular Weight (g/mol) | 181.15 |
MDL Number | MFCD00007174 |
SMILES | CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
InChI Key | BBEWSMNRCUXQRF-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |