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4-Methyl-2-nitroaniline

CAT: 0572-TRC-M323450-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M323450-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89-62-3
Synonyms
4-Methyl-2-nitroaniline; 4-Amino-3-nitrotoluene
Hazard Statement
Toxic if swallowed; UN number: UN2660; Packing Group: III
Smiles
Cc1ccc(N)c(c1)[N+](=O)[O-]
Molecular Formula
C7 H8 N2 O2
Molecular Weight
152.15
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
Additionnal Information
IUPAC name: 4-methyl-2-nitroaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methyl-2-nitroaniline

2-nitro-p-toluidine is a C-nitro compound in which the nitro compound is ortho to the amino group and meta to the methyl group of p-toluidine. It is functionally related to a p-toluidine.

CAS Number89-62-3
PubChem CID6978
IUPAC Name4-methyl-2-nitroaniline
Molecular FormulaC7H8N2O2
Molecular Weight152.15
XLogP2
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
InChIKey
DLURHXYXQYMPLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-2-nitroaniline
CAS: 89-62-3
CID: 6978
Formula: C7H8N2O2
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass152.058577502
Monoisotopic Mass152.058577502
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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