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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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Physikalische Form 
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Physikalische Form

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1
Sonderaktionen verfügbar

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

3,5-Dinitrobenzoesäure, 99 %, Thermo Scientific Chemicals

CAS: 99-34-3 Summenformel: C7H4N2O6 Molekulargewicht (g/mol): 212.12 MDL-Nummer: MFCD00007253 InChI-Schlüssel: 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-Dinitrobenzoesäure SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI-Schlüssel VYWYYJYRVSBHJQ-UHFFFAOYSA-N
IUPAC-Name 3,5-Dinitrobenzoesäure
PubChem CID 7433
CAS 99-34-3
ChEBI CHEBI:73914
MDL-Nummer MFCD00007253
Molekulargewicht (g/mol) 212.12
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
Summenformel C7H4N2O6
4

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
5

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
6

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
7

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
8

2-Methyl-5-Nitrobenzoesäure, 99+ %, Thermo Scientific™

CAS: 1975-52-6 Summenformel: C8H7NO4 Molekulargewicht (g/mol): 181.15 MDL-Nummer: MFCD00007371 InChI-Schlüssel: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI-Schlüssel DJRFJAVPROZZFL-UHFFFAOYSA-N
PubChem CID 519683
CAS 1975-52-6
MDL-Nummer MFCD00007371
Molekulargewicht (g/mol) 181.15
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
Summenformel C8H7NO4
9

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
11

Ethyl 4-Chlor-3-Nitrobenzoat, 97 %, Thermo Scientific™

CAS: 16588-16-2 Summenformel: C9H8ClNO4 Molekulargewicht (g/mol): 229.616 InChI-Schlüssel: BLNLZRQIUGDTAO-UHFFFAOYSA-N Synonym: benzoic acid, 4-chloro-3-nitro-, ethyl ester,4-chloro-3-nitrobenzoic acid ethyl ester,4-chloro-3-nitro-benzoic acid ethyl ester,ethyl 4-chloranyl-3-nitro-benzoate,acmc-20a7tu,ethyl4-chloro-3-nitrobenzoate,ethyl 4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitrobenzoate,3-nitro-4-chlorobenzoic acid ethyl ester PubChem CID: 1268247 IUPAC-Name: Ethyl-4-chlor-3-nitrobenzoat SMILES: CCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI-Schlüssel BLNLZRQIUGDTAO-UHFFFAOYSA-N
IUPAC-Name Ethyl-4-chlor-3-nitrobenzoat
PubChem CID 1268247
CAS 16588-16-2
Molekulargewicht (g/mol) 229.616
SMILES CCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Synonym benzoic acid, 4-chloro-3-nitro-, ethyl ester,4-chloro-3-nitrobenzoic acid ethyl ester,4-chloro-3-nitro-benzoic acid ethyl ester,ethyl 4-chloranyl-3-nitro-benzoate,acmc-20a7tu,ethyl4-chloro-3-nitrobenzoate,ethyl 4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitro-benzoate,ethyl-4-chloro-3-nitrobenzoate,3-nitro-4-chlorobenzoic acid ethyl ester
Summenformel C9H8ClNO4
12

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
13

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
14

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
15

Methyl3-Methyl-4-Nitrobenzoat, 97 %, Thermo Scientific™

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