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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

Methyl3-nitrobenzoat, 98 %, Thermo Scientific Chemicals

CAS: 618-95-1 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.15 MDL-Nummer: MFCD00007250 InChI-Schlüssel: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 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 PubChem CID: 69260 IUPAC-Name: Methyl 3-Nitrobenzoat SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI-Schlüssel AXLYJLKKPUICKV-UHFFFAOYSA-N
IUPAC-Name Methyl 3-Nitrobenzoat
PubChem CID 69260
CAS 618-95-1
MDL-Nummer MFCD00007250
Molekulargewicht (g/mol) 181.15
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym 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
Summenformel C8H7NO4
2
Sonderaktionen verfügbar

5,5'-Di-thio-bis-(2-Nitrobenzoesäure), 99 %, Thermo Scientific Chemicals

CAS: 69-78-3 Summenformel: C14H8N2O8S2 Molekulargewicht (g/mol): 396.34 MDL-Nummer: MFCD00007140 InChI-Schlüssel: 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-nitrobenzoesäure SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

EDGE
InChI-Schlüssel KIUMMUBSPKGMOY-UHFFFAOYSA-N
IUPAC-Name 5-[(3-Carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoesäure
PubChem CID 6254
CAS 69-78-3
ChEBI CHEBI:86228
MDL-Nummer MFCD00007140
Molekulargewicht (g/mol) 396.34
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
Summenformel C14H8N2O8S2
3

2-Nitrobenzoesäure, 95 %, Thermo Scientific Chemicals

CAS: 552-16-9 Summenformel: C7H5NO4 Molekulargewicht (g/mol): 167.12 MDL-Nummer: MFCD00007137 InChI-Schlüssel: 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-]

InChI-Schlüssel SLAMLWHELXOEJZ-UHFFFAOYSA-N
PubChem CID 11087
CAS 552-16-9
ChEBI CHEBI:25620
MDL-Nummer MFCD00007137
Molekulargewicht (g/mol) 167.12
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
Summenformel C7H5NO4
4

4-Nitrobenzoesäure, 99 %, Thermo Scientific Chemicals

CAS: 62-23-7 Summenformel: C7H5NO4 Molekulargewicht (g/mol): 167.12 MDL-Nummer: MFCD00007352 InChI-Schlüssel: 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-]

InChI-Schlüssel OTLNPYWUJOZPPA-UHFFFAOYSA-N
PubChem CID 6108
CAS 62-23-7
ChEBI CHEBI:262350
MDL-Nummer MFCD00007352
Molekulargewicht (g/mol) 167.12
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
Summenformel C7H5NO4
5

2-Nitrobenzoesäure, 95%

CAS: 552-16-9 Summenformel: C7H5NO4 Molekulargewicht (g/mol): 167.12 MDL-Nummer: MFCD00007137 InChI-Schlüssel: 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-]

InChI-Schlüssel SLAMLWHELXOEJZ-UHFFFAOYSA-N
PubChem CID 11087
CAS 552-16-9
ChEBI CHEBI:25620
MDL-Nummer MFCD00007137
Molekulargewicht (g/mol) 167.12
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
Summenformel C7H5NO4
6

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

CAS: 96-98-0 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.15 MDL-Nummer: MFCD00007174 InChI-Schlüssel: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel BBEWSMNRCUXQRF-UHFFFAOYSA-N
PubChem CID 7319
CAS 96-98-0
MDL-Nummer MFCD00007174
Molekulargewicht (g/mol) 181.15
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Summenformel C8H7NO4
7

Methyl-2-chlor-4-nitrobenzoat, 98 %, Thermo Scientific Chemicals

CAS: 13324-11-3 Summenformel: C8H6ClNO4 Molekulargewicht (g/mol): 215.59 MDL-Nummer: MFCD00017013 InChI-Schlüssel: 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-chlor-4-nitrobenzoat SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

InChI-Schlüssel PICNSXCJRMYANX-UHFFFAOYSA-N
IUPAC-Name Methyl-2-chlor-4-nitrobenzoat
PubChem CID 83343
CAS 13324-11-3
MDL-Nummer MFCD00017013
Molekulargewicht (g/mol) 215.59
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
Summenformel C8H6ClNO4
8

Methyl-3-fluor-4-nitrobenzoat, 97 %, Thermo Scientific Chemicals

CAS: 185629-31-6 Summenformel: C8H6FNO4 Molekulargewicht (g/mol): 199.137 MDL-Nummer: MFCD08444027 InChI-Schlüssel: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC-Name: Methyl3-Fluor-4-nitrobenzoat SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F

InChI-Schlüssel FKMZNQQOPCCUTD-UHFFFAOYSA-N
IUPAC-Name Methyl3-Fluor-4-nitrobenzoat
PubChem CID 592761
CAS 185629-31-6
MDL-Nummer MFCD08444027
Molekulargewicht (g/mol) 199.137
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
Summenformel C8H6FNO4
9

2-Chlor-3,5-Dinitrobenzoesäure, 97 % (Trockengew.), kann bis zu ca. 5 % Wasser enthalten, Thermo Scientific Chemicals

CAS: 2497-91-8 Summenformel: C7H3ClN2O6 Molekulargewicht (g/mol): 246.56 MDL-Nummer: MFCD00007070 InChI-Schlüssel: ADTKEYLCJYYHHH-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci PubChem CID: 17247 IUPAC-Name: 2-Chlor-3,5-dinitrobenzoesäure SMILES: OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

InChI-Schlüssel ADTKEYLCJYYHHH-UHFFFAOYSA-N
IUPAC-Name 2-Chlor-3,5-dinitrobenzoesäure
PubChem CID 17247
CAS 2497-91-8
MDL-Nummer MFCD00007070
Molekulargewicht (g/mol) 246.56
SMILES OC(=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O
Synonym 2-chloro-3,5-dinitrobenzoic acid,benzoic acid, 2-chloro-3,5-dinitro,2-carboxy-4,6-dinitrochlorobenzene,3,5-dinitro-2-chlorobenzoic acid,acmc-209uud,timtec-bb sbb003177,wln: wnr bg cvq enw,4-09-00-01359 beilstein handbook reference,ksc495o8b,2-chloro-3,5-dinitro-benzoicaci
Summenformel C7H3ClN2O6
10

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

CAS: 943-14-6 Summenformel: C7H4BrNO4 Molekulargewicht (g/mol): 246.016 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) 246.016
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
11

Methyl3-methyl-4-nitrobenzoat, 97 %, Thermo Scientific Chemicals

CAS: 24078-21-5 Summenformel: C9H9NO4 Molekulargewicht (g/mol): 195.174 MDL-Nummer: MFCD00085640 InChI-Schlüssel: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC-Name: Methyl3-methyl-4-nitrobenzoat SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI-Schlüssel IEFONJKJLZFGKQ-UHFFFAOYSA-N
IUPAC-Name Methyl3-methyl-4-nitrobenzoat
PubChem CID 260927
CAS 24078-21-5
MDL-Nummer MFCD00085640
Molekulargewicht (g/mol) 195.174
SMILES CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
Synonym benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d
Summenformel C9H9NO4
12

2,5-Difluor-4-Nitrobenzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 116465-48-6 Summenformel: C7H3F2NO4 Molekulargewicht (g/mol): 203.101 MDL-Nummer: MFCD03425705 InChI-Schlüssel: 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

InChI-Schlüssel GPTNSBLYGCZJQV-UHFFFAOYSA-N
PubChem CID 246375
CAS 116465-48-6
MDL-Nummer MFCD03425705
Molekulargewicht (g/mol) 203.101
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
Summenformel C7H3F2NO4
13

5-Amino-2-Nitrobenzoesäure, 95 %, Thermo Scientific Chemicals

CAS: 13280-60-9 Summenformel: C7H6N2O4 Molekulargewicht (g/mol): 182.135 MDL-Nummer: MFCD00035748 InChI-Schlüssel: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]

InChI-Schlüssel KZZWQCKYLNIOBT-UHFFFAOYSA-N
PubChem CID 83298
CAS 13280-60-9
MDL-Nummer MFCD00035748
Molekulargewicht (g/mol) 182.135
SMILES C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
Synonym 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid
Summenformel C7H6N2O4
14

2-Methyl-6-nitrobenzoiesäure, 98 %, Thermo Scientific Chemicals

CAS: 13506-76-8 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.147 MDL-Nummer: MFCD00007267 InChI-Schlüssel: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

InChI-Schlüssel CCXSGQZMYLXTOI-UHFFFAOYSA-N
PubChem CID 16097
CAS 13506-76-8
MDL-Nummer MFCD00007267
Molekulargewicht (g/mol) 181.147
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
Summenformel C8H7NO4
15

3-Hydroxy-2-Nitrobenzoesäure, 98+ %, Thermo Scientific Chemicals

CAS: 602-00-6 Summenformel: C7H5NO5 Molekulargewicht (g/mol): 183.119 MDL-Nummer: MFCD00017003 InChI-Schlüssel: KPDBKQKRDJPBRM-UHFFFAOYSA-N Synonym: 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid PubChem CID: 293291 SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O

InChI-Schlüssel KPDBKQKRDJPBRM-UHFFFAOYSA-N
PubChem CID 293291
CAS 602-00-6
MDL-Nummer MFCD00017003
Molekulargewicht (g/mol) 183.119
SMILES C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Synonym 3-hydroxy-2-nitrobenzoic acid,3-hydroxy-2-nitrobenzoicacid,3-hydroxy-2-nitro-benzoic acid,2-nitro-3-hydroxybenzoic acid,pubchem8846,nitro-m-oxybenzoesaure,benzoic acid, hydroxynitro,ksc288q8j,acmc-1b214,2-nitro-3-oxidanyl-benzoic acid
Summenformel C7H5NO5