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Nitrotoluener

Organiske forbindelser, der består af et toluenmolekyle med en nitrogruppesubstitution; en nitrogruppe har et nitrogenatom bundet til to oxygengrupper i en enkelt- og en dobbeltbinding. Et toluenmolekyle er en benzen med en methylgruppesubstitution.

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1

3-Methyl-4-nitrobenzonitrile, 97%

CAS: 96784-54-2 Molekylær formel: C8H6N2O2 Molekylvægt (g/mol): 162.148 MDL nummer: MFCD00017615 InChI nøgle: IHVNKSXTJZNBQA-UHFFFAOYSA-N Synonym: benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa PubChem CID: 2801434 IUPAC navn: 3-methyl-4-nitrobenzonitril SMIL: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

MDL nummer MFCD00017615
PubChem CID 2801434
Molekylvægt (g/mol) 162.148
CAS 96784-54-2
Synonym benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa
SMIL CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
IUPAC navn 3-methyl-4-nitrobenzonitril
InChI nøgle IHVNKSXTJZNBQA-UHFFFAOYSA-N
Molekylær formel C8H6N2O2
3

Dinitroduren, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI nøgle: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC navn: 1,2,4,5-tetramethyl-3,6-dinitrobenzen SMIL: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

PubChem CID 79593
CAS 5465-13-4
Synonym 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
SMIL CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
IUPAC navn 1,2,4,5-tetramethyl-3,6-dinitrobenzen
InChI nøgle AEPQXGFMAZTUEA-UHFFFAOYSA-N
4

4-Methyl-3-nitroaniline, 97%

CAS: 119-32-4 Molekylær formel: C7H8N2O2 Molekylvægt (g/mol): 152.15 MDL nummer: MFCD00007910 InChI nøgle: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC navn: 4-methyl-3-nitroanilin SMIL: CC1=C(C=C(C=C1)N)[N+](=O)[O-]

MDL nummer MFCD00007910
PubChem CID 8390
Molekylvægt (g/mol) 152.15
CAS 119-32-4
ChEBI CHEBI:81670
Synonym 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin
SMIL CC1=C(C=C(C=C1)N)[N+](=O)[O-]
IUPAC navn 4-methyl-3-nitroanilin
InChI nøgle GDIIPKWHAQGCJF-UHFFFAOYSA-N
Molekylær formel C7H8N2O2
5

2-Iodo-4-nitrotoluene, 97%

CAS: 7745-92-8 Molekylær formel: C7H6INO2 Molekylvægt (g/mol): 263.03 MDL nummer: MFCD00024329 InChI nøgle: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC navn: 2-iod-1-methyl-4-nitrobenzen SMIL: CC1=CC=C(C=C1I)[N+]([O-])=O

MDL nummer MFCD00024329
PubChem CID 82188
Molekylvægt (g/mol) 263.03
CAS 7745-92-8
Synonym 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821
SMIL CC1=CC=C(C=C1I)[N+]([O-])=O
IUPAC navn 2-iod-1-methyl-4-nitrobenzen
InChI nøgle BUQSRXQJUZTIEW-UHFFFAOYSA-N
Molekylær formel C7H6INO2
6

2-Nitrotoluene, 99+%

CAS: 88-72-2 Molekylær formel: C7H7NO2 Molekylvægt (g/mol): 137.14 InChI nøgle: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC navn: 1-methyl-2-nitrobenzen SMIL: CC1=CC=CC=C1[N+](=O)[O-]

PubChem CID 6944
Molekylvægt (g/mol) 137.14
CAS 88-72-2
ChEBI CHEBI:33098
Synonym 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene
SMIL CC1=CC=CC=C1[N+](=O)[O-]
IUPAC navn 1-methyl-2-nitrobenzen
InChI nøgle PLAZTCDQAHEYBI-UHFFFAOYSA-N
Molekylær formel C7H7NO2
7

4-iod-2-nitrotoluen, 97 %, Thermo Scientific Chemicals

CAS: 41252-97-5 Molekylær formel: C7H6INO2 Molekylvægt (g/mol): 263.034 MDL nummer: MFCD00051090 InChI nøgle: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC navn: 4-iod-1-methyl-2-nitrobenzen SMIL: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

MDL nummer MFCD00051090
PubChem CID 170481
Molekylvægt (g/mol) 263.034
CAS 41252-97-5
Synonym 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene
SMIL CC1=C(C=C(C=C1)I)[N+](=O)[O-]
IUPAC navn 4-iod-1-methyl-2-nitrobenzen
InChI nøgle QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Molekylær formel C7H6INO2
8

2-Bromo-1,3,5-trimethyl-4-nitrobenzene, 90+%

CAS: 90561-85-6 Molekylær formel: C9H10BrNO2 Molekylvægt (g/mol): 244.088 MDL nummer: MFCD00015924 InChI nøgle: IUFDRRDWXUSFBG-UHFFFAOYSA-N Synonym: 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene PubChem CID: 2757200 IUPAC navn: 2-brom-1,3,5-trimethyl-4-nitrobenzen SMIL: CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C

MDL nummer MFCD00015924
PubChem CID 2757200
Molekylvægt (g/mol) 244.088
CAS 90561-85-6
Synonym 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene
SMIL CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C
IUPAC navn 2-brom-1,3,5-trimethyl-4-nitrobenzen
InChI nøgle IUFDRRDWXUSFBG-UHFFFAOYSA-N
Molekylær formel C9H10BrNO2
9

4-methyl-3-nitrobenzenboronsyre, 98 %, Thermo Scientific Chemicals

CAS: 80500-27-2 Molekylær formel: C7H8BNO4 Molekylvægt (g/mol): 180.954 MDL nummer: MFCD00191550 InChI nøgle: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC navn: (4-methyl-3-nitrophenyl)boronsyre SMIL: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O

MDL nummer MFCD00191550
PubChem CID 2773515
Molekylvægt (g/mol) 180.954
CAS 80500-27-2
Synonym 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid
SMIL B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
IUPAC navn (4-methyl-3-nitrophenyl)boronsyre
InChI nøgle OASVXBRTNVFKFS-UHFFFAOYSA-N
Molekylær formel C7H8BNO4
10

4-Methyl-3-nitroaniline, 98%

CAS: 119-32-4 Molekylær formel: C7H8N2O2 Molekylvægt (g/mol): 152.153 MDL nummer: MFCD00007910 InChI nøgle: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC navn: 4-methyl-3-nitroanilin SMIL: CC1=C(C=C(C=C1)N)[N+](=O)[O-]

MDL nummer MFCD00007910
PubChem CID 8390
Molekylvægt (g/mol) 152.153
CAS 119-32-4
ChEBI CHEBI:81670
Synonym 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin
SMIL CC1=C(C=C(C=C1)N)[N+](=O)[O-]
IUPAC navn 4-methyl-3-nitroanilin
InChI nøgle GDIIPKWHAQGCJF-UHFFFAOYSA-N
Molekylær formel C7H8N2O2
11

2-Methyl-3-nitrophenylacetic acid, 96%

CAS: 23876-15-5 Molekylær formel: C9H9NO4 Molekylvægt (g/mol): 195.174 MDL nummer: MFCD07782132 InChI nøgle: LWIOFILTAJJDLA-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 PubChem CID: 13530897 SMIL: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

MDL nummer MFCD07782132
PubChem CID 13530897
Molekylvægt (g/mol) 195.174
CAS 23876-15-5
Synonym 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230
SMIL CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
InChI nøgle LWIOFILTAJJDLA-UHFFFAOYSA-N
Molekylær formel C9H9NO4
12

5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%

CAS: 315-12-8 Molekylær formel: C8H8FNO2 Molekylvægt (g/mol): 169.155 MDL nummer: MFCD03413407 InChI nøgle: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC navn: 5-fluor-1,3-dimethyl-2-nitrobenzen SMIL: CC1=CC(=CC(=C1[N+](=O)[O-])C)F

MDL nummer MFCD03413407
PubChem CID 12651353
Molekylvægt (g/mol) 169.155
CAS 315-12-8
Synonym 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene
SMIL CC1=CC(=CC(=C1[N+](=O)[O-])C)F
IUPAC navn 5-fluor-1,3-dimethyl-2-nitrobenzen
InChI nøgle KDPQDERPJHLWGF-UHFFFAOYSA-N
Molekylær formel C8H8FNO2
13

4-chlor-2-methyl-6-nitroanilin, 98 %, Thermo Scientific Chemicals

CAS: 62790-50-5 Molekylær formel: C7H7ClN2O2 Molekylvægt (g/mol): 186.60 MDL nummer: MFCD01320687 InChI nøgle: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC navn: 4-chlor-2-methyl-6-nitroanilin SMIL: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

MDL nummer MFCD01320687
PubChem CID 182355
Molekylvægt (g/mol) 186.60
CAS 62790-50-5
SMIL CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC navn 4-chlor-2-methyl-6-nitroanilin
InChI nøgle QDSCDFKGUAONPC-UHFFFAOYSA-N
Molekylær formel C7H7ClN2O2
14

2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molekylær formel: C7H6ClNO2 Molekylvægt (g/mol): 171.58 MDL nummer: MFCD00007210 InChI nøgle: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC navn: 2-chlor-1-methyl-4-nitrobenzen SMIL: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

MDL nummer MFCD00007210
PubChem CID 8491
Molekylvægt (g/mol) 171.58
CAS 121-86-8
Synonym 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
SMIL CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
IUPAC navn 2-chlor-1-methyl-4-nitrobenzen
InChI nøgle LLYXJBROWQDVMI-UHFFFAOYSA-N
Molekylær formel C7H6ClNO2
15

4-brom-2-methyl-6-nitroanilin, 97 %, Thermo Scientific Chemicals

CAS: 77811-44-0 Molekylær formel: C7H7BrN2O2 Molekylvægt (g/mol): 231.049 MDL nummer: MFCD00052919 InChI nøgle: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t PubChem CID: 522679 IUPAC navn: 4-brom-2-methyl-6-nitroanilin SMIL: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br

MDL nummer MFCD00052919
PubChem CID 522679
Molekylvægt (g/mol) 231.049
CAS 77811-44-0
Synonym 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t
SMIL CC1=CC(=CC(=C1N)[N+](=O)[O-])Br
IUPAC navn 4-brom-2-methyl-6-nitroanilin
InChI nøgle ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
Molekylær formel C7H7BrN2O2