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Nitrotoluenes

Organic compounds that consist of a toluene molecule with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. A toluene molecule is a benzene with a methyl group substitution.
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1

4-Methyl-3-nitrobenzeneboronic acid, 98%

CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: 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 Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O

PubChem CID 2773515
CAS 80500-27-2
Molecular Weight (g/mol) 180.954
MDL Number MFCD00191550
SMILES B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
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
IUPAC Name (4-methyl-3-nitrophenyl)boronic acid
InChI Key OASVXBRTNVFKFS-UHFFFAOYSA-N
Molecular Formula C7H8BNO4
2

2-Methyl-3-nitrophenylacetic acid, 96%

CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: 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 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

PubChem CID 13530897
CAS 23876-15-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD07782132
SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
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
InChI Key LWIOFILTAJJDLA-UHFFFAOYSA-N
Molecular Formula C9H9NO4
3

2-(2-Methyl-6-nitrophenyl)acetic acid, 95%, Thermo Scientific Chemicals

CAS: 23876-18-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00066313 InChI Key: WFKNETIJXXWRHO-UHFFFAOYSA-N Synonym: 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid PubChem CID: 675115 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O

PubChem CID 675115
CAS 23876-18-8
Molecular Weight (g/mol) 195.174
MDL Number MFCD00066313
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
Synonym 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid
InChI Key WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular Formula C9H9NO4
4

4-Nitrotoluene-2-sulfonic Acid Hydrate 95.0+%, TCI America™

CAS: 121-03-9 Molecular Formula: C7H7NO5S Molecular Weight (g/mol): 217.195 MDL Number: MFCD00024914 InChI Key: ZDTXQHVBLWYPHS-UHFFFAOYSA-N PubChem CID: 8458 ChEBI: CHEBI:67120 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

PubChem CID 8458
CAS 121-03-9
Molecular Weight (g/mol) 217.195
ChEBI CHEBI:67120
MDL Number MFCD00024914
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O
InChI Key ZDTXQHVBLWYPHS-UHFFFAOYSA-N
Molecular Formula C7H7NO5S
5

2-Methyl-3-nitrophenylacetic Acid 96.0+%, TCI America™

CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: 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 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

PubChem CID 13530897
CAS 23876-15-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD07782132
SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
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
InChI Key LWIOFILTAJJDLA-UHFFFAOYSA-N
Molecular Formula C9H9NO4
6

4-Methyl-3-nitrophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2773515
CAS 80500-27-2
Molecular Weight (g/mol) 180.954
MDL Number MFCD00191550
Physical Form Crystalline Powder
SMILES B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
TSCA No
IUPAC Name (4-methyl-3-nitrophenyl)boronic acid
InChI Key OASVXBRTNVFKFS-UHFFFAOYSA-N
Molecular Formula C7H8BNO4
Formula Weight 180.95
7

5-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]-2-(6-hydroxy-3-oxo-3H-xanthene-9-yl)benzoic Acid Monohydrate 90.0+%, TCI America™

CAS: 1160555-05-4 Molecular Formula: C37H26N2O8 Molecular Weight (g/mol): 626.621 InChI Key: UQQWUXKLZVVNDR-ONEGZZNKSA-N Synonym: 4-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]fluorescein, Flu-DNB PubChem CID: 101858728 IUPAC Name: 5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O

PubChem CID 101858728
CAS 1160555-05-4
Molecular Weight (g/mol) 626.621
SMILES CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O
Synonym 4-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]fluorescein, Flu-DNB
IUPAC Name 5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
InChI Key UQQWUXKLZVVNDR-ONEGZZNKSA-N
Molecular Formula C37H26N2O8
8

4-Methyl-3-nitrobenzenesulfonyl chloride, 95%, Thermo Scientific Chemicals

CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

PubChem CID 560638
CAS 616-83-1
Molecular Weight (g/mol) 235.638
MDL Number MFCD00129811
SMILES CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
Synonym 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride
IUPAC Name 4-methyl-3-nitrobenzenesulfonyl chloride
InChI Key OQFYBGANSUNUAO-UHFFFAOYSA-N
Molecular Formula C7H6ClNO4S
9

2-Methyl-5-nitrobenzenesulfonyl chloride, 97%

CAS: 121-02-8 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.64 MDL Number: MFCD00051695 InChI Key: WPGVQDHXOUAJBW-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride PubChem CID: 8457 IUPAC Name: 2-methyl-5-nitrobenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O

PubChem CID 8457
CAS 121-02-8
Molecular Weight (g/mol) 235.64
MDL Number MFCD00051695
SMILES CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride
IUPAC Name 2-methyl-5-nitrobenzenesulfonyl chloride
InChI Key WPGVQDHXOUAJBW-UHFFFAOYSA-N
Molecular Formula C7H6ClNO4S
10

2-Methyl-4-nitroaniline, 99%

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7441
CAS 99-52-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007734
SMILES CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name 2-methyl-4-nitroaniline
InChI Key XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula C7H8N2O2