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Nitrobenzoesäuren und Derivate

Organische Verbindungen, die aus Benzoesäure mit einer Nitrogruppensubstitution bestehen; eine Nitrogruppe hat ein Stickstoffatom, das durch eine Einzel- und eine Doppelbindung an zwei Sauerstoffgruppen gebunden ist. Dazu gehören Verbindungen, die direkt aus Nitrobenzoesäure gewonnen werden.

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1

3-Methoxy-4-Nitrobenzoesäure, 98+ %, Thermo Scientific Chemicals

CAS: 5081-36-7 Summenformel: C8H7NO5 Molekulargewicht (g/mol): 197.146 MDL-Nummer: MFCD00007353 InChI-Schlüssel: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel PWURRRRGLCVBMX-UHFFFAOYSA-N
PubChem CID 78764
CAS 5081-36-7
MDL-Nummer MFCD00007353
Molekulargewicht (g/mol) 197.146
SMILES COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
Summenformel C8H7NO5
2

2-Methyl-4-nitrobenzoesäure, 98 %, Thermo Scientific Chemicals

CAS: 1975-51-5 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.15 InChI-Schlüssel: XXXOBNJIIZQSPT-UHFFFAOYSA-N Synonym: 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid PubChem CID: 74790 SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

InChI-Schlüssel XXXOBNJIIZQSPT-UHFFFAOYSA-N
PubChem CID 74790
CAS 1975-51-5
Molekulargewicht (g/mol) 181.15
SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid
Summenformel C8H7NO4
3

5-Methoxy-2-nitrobenzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 1882-69-5 Summenformel: C8H6NO5 Molekulargewicht (g/mol): 196.14 MDL-Nummer: MFCD00151836 InChI-Schlüssel: 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-nitrobenzoat SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

InChI-Schlüssel URADKXVAIGMTEG-UHFFFAOYSA-M
IUPAC-Name 5-Methoxy-2-nitrobenzoat
PubChem CID 339209
CAS 1882-69-5
MDL-Nummer MFCD00151836
Molekulargewicht (g/mol) 196.14
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
Summenformel C8H6NO5
4

5-Hydroxy-2-Nitrobenzoesäure, Thermo Scientific™

CAS: 610-37-7 Summenformel: C7H5NO5 Molekulargewicht (g/mol): 183.119 MDL-Nummer: MFCD00017566 InChI-Schlüssel: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel BUHKQTKKZAXSMH-UHFFFAOYSA-N
PubChem CID 11882
CAS 610-37-7
MDL-Nummer MFCD00017566
Molekulargewicht (g/mol) 183.119
SMILES C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
Summenformel C7H5NO5
5

2-Brom-5-Nitrobenzoesäure, Thermo Scientific™

CAS: 943-14-6 Summenformel: C7H4BrNO4 Molekulargewicht (g/mol): 246.02 MDL-Nummer: MFCD00134558 InChI-Schlüssel: 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

InChI-Schlüssel UVFWYVCDRKRAJH-UHFFFAOYSA-N
PubChem CID 243025
CAS 943-14-6
MDL-Nummer MFCD00134558
Molekulargewicht (g/mol) 246.02
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
Summenformel C7H4BrNO4
7

Nitroterephthalsäure, +99 %, Thermo Scientific Chemicals

CAS: 610-29-7 Summenformel: C8H5NO6 Molekulargewicht (g/mol): 211.13 MDL-Nummer: MFCD00007141 InChI-Schlüssel: 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

InChI-Schlüssel QUMITRDILMWWBC-UHFFFAOYSA-N
PubChem CID 69122
CAS 610-29-7
MDL-Nummer MFCD00007141
Molekulargewicht (g/mol) 211.13
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
Summenformel C8H5NO6
8

2-Chlor-3-nitrobenzoesäure, Thermo Scientific Chemicals

CAS: 3970-35-2 Summenformel: C7H4ClNO4 Molekulargewicht (g/mol): 201.57 MDL-Nummer: MFCD00007069 InChI-Schlüssel: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

InChI-Schlüssel JRQDVRIQJJPHEQ-UHFFFAOYSA-N
PubChem CID 19870
CAS 3970-35-2
MDL-Nummer MFCD00007069
Molekulargewicht (g/mol) 201.57
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
Summenformel C7H4ClNO4
10

2-Amino-5-nitrobenzoesäure, 98 %, Thermo Scientific Chemicals

CAS: 616-79-5 Summenformel: C7H6N2O4 Molekulargewicht (g/mol): 182.14 MDL-Nummer: MFCD00017039 InChI-Schlüssel: 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-nitrobenzoesäure SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

InChI-Schlüssel RUCHWTKMOWXHLU-UHFFFAOYSA-N
IUPAC-Name 2-Amino-5-nitrobenzoesäure
PubChem CID 12032
CAS 616-79-5
ChEBI CHEBI:61280
MDL-Nummer MFCD00017039
Molekulargewicht (g/mol) 182.14
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
Summenformel C7H6N2O4
11

2-Chlor-4-Nitrobenzoesäure 98 %, Thermo Scientific Chemicals

CAS: 99-60-5 Summenformel: C7H4ClNO4 Molekulargewicht (g/mol): 201.57 MDL-Nummer: MFCD00007209 InChI-Schlüssel: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

InChI-Schlüssel QAYNSPOKTRVZRC-UHFFFAOYSA-N
PubChem CID 7448
CAS 99-60-5
MDL-Nummer MFCD00007209
Molekulargewicht (g/mol) 201.57
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
Summenformel C7H4ClNO4
12

2-Chlor-5-Nitrobenzoesäure, 99+ %, Thermo Scientific Chemicals

CAS: 2516-96-3 Summenformel: C7H4ClNO4 Molekulargewicht (g/mol): 201.56 MDL-Nummer: MFCD00007294 InChI-Schlüssel: 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

InChI-Schlüssel QUEKGYQTRJVEQC-UHFFFAOYSA-N
PubChem CID 17287
CAS 2516-96-3
MDL-Nummer MFCD00007294
Molekulargewicht (g/mol) 201.56
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
Summenformel C7H4ClNO4
13

5-Nitrosalicylsäure, 99 %, Thermo Scientific Chemicals

CAS: 96-97-9 Summenformel: C7H5NO5 Molekulargewicht (g/mol): 183.12 MDL-Nummer: MFCD00007338 InChI-Schlüssel: 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

InChI-Schlüssel PPDRLQLKHRZIJC-UHFFFAOYSA-N
PubChem CID 7318
CAS 96-97-9
ChEBI CHEBI:61281
MDL-Nummer MFCD00007338
Molekulargewicht (g/mol) 183.12
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
Summenformel C7H5NO5
14

Methyl 3-nitrosalicylate 98 %, Thermo Scientific Chemicals

CAS: 22621-41-6 Summenformel: C8H7NO5 Molekulargewicht (g/mol): 197.15 MDL-Nummer: MFCD00272263 InChI-Schlüssel: 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

InChI-Schlüssel NIBVYEHAFBEVFI-UHFFFAOYSA-N
PubChem CID 596904
CAS 22621-41-6
MDL-Nummer MFCD00272263
Molekulargewicht (g/mol) 197.15
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
Summenformel C8H7NO5
15

3-Methyl-4-nitrobenzoesäure, 99 %, Thermo Scientific Chemicals

CAS: 3113-71-1 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.15 MDL-Nummer: MFCD00007168 InChI-Schlüssel: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel XDTTUTIFWDAMIX-UHFFFAOYSA-N
PubChem CID 18370
CAS 3113-71-1
MDL-Nummer MFCD00007168
Molekulargewicht (g/mol) 181.15
SMILES CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Summenformel C8H7NO4