Home Nitro Compounds 88-72-2
88-72-2,MFCD00007157
Catalog No.:AA003HQK
88-72-2 | 2-Nitrotoluene
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Purity
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25g
>99.0%(GC)
1 week  
$97.00   $68.00
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500g
>99.0%(GC)
1 week  
$124.00   $87.00
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Technical Information
Catalog Number:
AA003HQK
Chemical Name:
2-Nitrotoluene
CAS Number:
88-72-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00007157
IUPAC Name:
1-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChI Key:
PLAZTCDQAHEYBI-UHFFFAOYSA-N
SMILES:
O=N(=O)c1ccccc1C
UNII:
6Q9N88YIAY
NSC Number:
9577
RTECS Number:
XT3150000
UN Number:
1664
Properties
Computed Properties
 
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
1-methyl-2-nitrobenzene 
2-nitrotoluene 
Benzene, 1-methyl-2-nitro- 
o-Nitrotoluene, liquid [UN1664] [Poison] 
C19597 
I01-0409 
F9995-1659 
Z1262252922 
UNII-7JOW0J679F component PLAZTCDQAHEYBI-UHFFFAOYSA-N 
InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H 
Mononitrotoluene 
Nitrotoluenes 
Nitrotoluol 
Toluene, o-nitro- 
Mononitrotoluenes 
2-Nitrotolueno 
Nitrophenylmethane 
Toluene, nitro- 
Benzene, methylnitro- 
Nitrotoluene (o-) 
Nitrotoluene, all isomers 
Toluene, ar-nitro- 
Toluene, 2-nitro- 
NIE (CHRIS Code) 
2-Methyl-1-nitrobenzene 
Nitrotoluene (all isomers) 
UN 1664 (Related) 
UNII-7JOW0J679F 
Benceno, 1-metil-2-nitro- 
UN1664 
HSDB 6301 
CID6944 
C7-H7-N-O2 
LUF 5834 
EINECS 215-311-9 
2-Nitrotoluol 
Nitrotoluene (all isomers) o-isomer 
AR-1K9221 
NA1664 
UN3446 
2-Nitrotoluene 99% for synthesis 500ml 
EC 215-311-9 
C029955 
2-Nitrotoluene (<lt/> 100 microg/ml) in acetonitrile 
1321-12-6 
333962-91-7 
ortho-Nitrotoluol 
6862-68-6 
2-Methylnitrobenzene 
NITROTOLUENE 
Nitrotoluene, o- 
1-methyl-2-nitro-benzene 
UNII-6Q9N88YIAY 
o-nitrotoluene 
NSC 9577 
CCRIS 1224 
ONT 
HSDB 2189 
Nitrotoluene, o-isomer 
alpha-Methylnitrobenzene 
EINECS 201-853-3 
6Q9N88YIAY 
AI3-16311 
MLS001055384 
ortho-nitrotoluene 
CHEBI:33098 
PLAZTCDQAHEYBI-UHFFFAOYSA-N 
MFCD00007157 
o-NT 
SMR000677946 
2-Nitrotoluene, 99+% 
DSSTox_CID_5791 
ortho-nitrotoluene 
2-Nitrotoluene, >=99% 
DSSTox_RID_77923 
2-Nitrotoluene 
DSSTox_GSID_25791 
Methylnitrobenzene 
CAS-88-72-2 
2-nitro toluene 
o-nitrophenylmethane 
Benzene,methylnitro- 
o-methyl nitrobenzene 
2-methyl-nitrobenzene 
o-NITRO TOLUENE 
o-Nitrotoluene, liquid 
1-Methyl-2-nitrobenzene 
ACMC-1BKHO 
TOLUENE,2-NITRO 
ORTHO NITROTOLUENE 
AC1L1NND 
AC1Q5AUO 
EC 201-853-3 
cid_6944 
WLN: WNR B1 
SCHEMBL26788 
KSC179I8T 
88-72-2 
CHEMBL47047 
PARAGOS 530089 
SCHEMBL8008054 
DTXSID4025791 
BDBM91068 
CTK0H9489 
KS-00000VJB 
NSC9577 
HMS3039E06 
LABOTEST-BB LTBB002340 
O-NITROTOLUENE 
2-Nitrotoluene, analytical standard 
NSC-9577 
ZINC1700065 
Tox21_202393 
Tox21_300032 
ANW-39144 
STL283955 
AKOS000120143 
AS00108 
LS-1882 
o-Nitrotoluol 
MCULE-5319832795 
RL05548 
RTR-032938 
TRA0011762 
NCGC00090723-01 
NCGC00090723-02 
NCGC00090723-03 
NCGC00254124-01 
NCGC00259942-01 
AJ-30444 
o-Methylnitrobenzene 
AN-42442 
CJ-28670 
SC-18126 
ST2415407 
TR-032938 
2-Nitrotoluene 10 microg/mL in Acetonitrile 
FT-0613226 
N0275 
o-Nitrotoluene, liquid [UN1664] [Poison] 
2-Nitrotoluene 100 microg/mL in Acetonitrile 
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Journal: Organic & biomolecular chemistry 20040107

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Title: Hemoglobin and DNA adducts in rats exposed to 2-nitrotoluene.

Journal: Carcinogenesis 20030401

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Journal: Environmental science & technology 20030315

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Journal: Toxicology 20030201

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Title: Design, synthesis, photochemical properties and cytotoxic activities of water-soluble caged L-leucyl-L-leucine methyl esters that control apoptosis of immune cells.

Journal: Bioorganic & medicinal chemistry 20020301

Title: Implication of manganese (III), oxalate, and oxygen in the degradation of nitroaromatic compounds by manganese peroxidase (MnP).

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Title: Photocatalytic degradation of nitrotoluene in aqueous TiO2 suspension.

Journal: Water research 20020101

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Title: Protease inhibitors: synthesis of a series of bacterial collagenase inhibitors of the sulfonyl amino acyl hydroxamate type.

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Title: Comparative toxicities of o-, m-, and p-nitrotoluene in 13-week feed studies in F344 rats and B6C3F1 mice.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19940401

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