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Nitrobenzoesyrer og derivater

Organiske forbindelser, der består af benzoesyre med en nitrogruppesubstitution; en nitrogruppe har et nitrogenatom bundet til to oxygengrupper i en enkelt- og en dobbeltbinding. Omfatter forbindelser, der er direkte afledt af nitrobenzoesyre.

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4-Nitrobenzoic acid, 99+%

CAS: 62-23-7 Molekylær formel: C7H5NO4 Molekylvægt (g/mol): 167.12 MDL nummer: MFCD00007352 InChI nøgle: 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 SMIL: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

EDGE
MDL nummer MFCD00007352
PubChem CID 6108
Molekylvægt (g/mol) 167.12
CAS 62-23-7
ChEBI CHEBI:262350
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
SMIL C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
InChI nøgle OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molekylær formel C7H5NO4
2

4-Fluoro-3-nitrobenzoic acid, 98%

CAS: 453-71-4 Molekylær formel: C7H4FNO4 Molekylvægt (g/mol): 185.11 MDL nummer: MFCD00007058 InChI nøgle: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC navn: 4-fluor-3-nitrobenzoesyre SMIL: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

MDL nummer MFCD00007058
PubChem CID 67987
Molekylvægt (g/mol) 185.11
CAS 453-71-4
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
SMIL OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
IUPAC navn 4-fluor-3-nitrobenzoesyre
InChI nøgle BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molekylær formel C7H4FNO4
3

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Molekylær formel: C8H7NO4 Molekylvægt (g/mol): 181.15 MDL nummer: MFCD00007250 InChI nøgle: 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 navn: methyl-3-nitrobenzoat SMIL: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

MDL nummer MFCD00007250
PubChem CID 69260
Molekylvægt (g/mol) 181.15
CAS 618-95-1
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
SMIL COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
IUPAC navn methyl-3-nitrobenzoat
InChI nøgle AXLYJLKKPUICKV-UHFFFAOYSA-N
Molekylær formel C8H7NO4
4

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molekylær formel: C9H9NO4 Molekylvægt (g/mol): 195.17 MDL nummer: MFCD00007351 InChI nøgle: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 7457 IUPAC navn: ethyl-4-nitrobenzoat SMIL: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

MDL nummer MFCD00007351
PubChem CID 7457
Molekylvægt (g/mol) 195.17
CAS 99-77-4
Synonym 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
SMIL CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
IUPAC navn ethyl-4-nitrobenzoat
InChI nøgle PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molekylær formel C9H9NO4
6

Methyl 3-nitrosalicylate, 98%, Thermo Scientific Chemicals

CAS: 22621-41-6 Molekylær formel: C8H7NO5 Molekylvægt (g/mol): 197.15 MDL nummer: MFCD00272263 InChI nøgle: 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 SMIL: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

MDL nummer MFCD00272263
PubChem CID 596904
Molekylvægt (g/mol) 197.15
CAS 22621-41-6
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
SMIL COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
InChI nøgle NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molekylær formel C8H7NO5
7

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molekylær formel: C7H5NO4 Molekylvægt (g/mol): 167.12 MDL nummer: MFCD00007137 InChI nøgle: 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 SMIL: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

MDL nummer MFCD00007137
PubChem CID 11087
Molekylvægt (g/mol) 167.12
CAS 552-16-9
ChEBI CHEBI:25620
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
SMIL C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
InChI nøgle SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molekylær formel C7H5NO4
9

Methyl 2-bromo-5-nitrobenzoate, 98%, Thermo Scientific™

CAS: 6942-36-5 MDL nummer: MFCD00010867 InChI nøgle: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC navn: methyl 2-bromo-5-nitrobenzoate SMIL: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

MDL nummer MFCD00010867
PubChem CID 245494
CAS 6942-36-5
Synonym 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
SMIL COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
IUPAC navn methyl 2-bromo-5-nitrobenzoate
InChI nøgle VSEYYEKRZNRECT-UHFFFAOYSA-N
10

4-Nitro-2-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 320-37-6 Molekylær formel: C8H4F3NO4 Molekylvægt (g/mol): 235.12 MDL nummer: MFCD04039246 InChI nøgle: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid PubChem CID: 2782737 IUPAC navn: 4-nitro-2-(trifluoromethyl)benzoic acid SMIL: OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F

MDL nummer MFCD04039246
PubChem CID 2782737
Molekylvægt (g/mol) 235.12
CAS 320-37-6
Synonym 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid
SMIL OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
IUPAC navn 4-nitro-2-(trifluoromethyl)benzoic acid
InChI nøgle BPCKZQCTLCTDST-UHFFFAOYSA-N
Molekylær formel C8H4F3NO4