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4-Chloro-2-methylaniline

CAT: 0572-TRC-C349800-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C349800-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95-69-2
Synonyms
o-Toluidine, 4-chloro- (8CI); 4-Chloro-2-methylbenzenamine; (4-Chloro-2-methylphenyl)amine; 2-Amino-5-chlorotoluene; 2-Methyl-4-chloroaniline; 2-Methyl-4-chlorobenzenamine; 3-Chloro-6-aminotoluene; 4-Chloro-2-methylaniline; 4-Chloro-2-toluidine; 4-Chloro-6-methylaniline; 4-Chloro-o-toluidine; 5-Chloro-2-aminotoluene; Daito Red Base TR; Fast Red 5CT Base; Fast Red Base TR; Fast Red TR Base; Fast Red TR-T Base; Fast Red TRO Base; Kako Red TR Base; Mitsui Red TR Base; NSC 4979; Red Base NTR; Red TR Base; Sanyo Fast Red TR Base; p-Chloro-o-toluidine
Hazard Statement
Toxic if swallowed; UN number: UN2239; Packing Group: III
Purity
>95% (GC)
Smiles
Cc1cc(Cl)ccc1N
Molecular Formula
C7 H8 Cl N
Molecular Weight
141.6
InChI
InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
Additionnal Information
IUPAC name: 4-chloro-2-methylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Chloro-2-toluidine

p-Chloro-o-toluidine can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC) and The Environmental Protection Agency (EPA).

CAS Number95-69-2
PubChem CID7251
IUPAC Name4-chloro-2-methylaniline
Molecular FormulaC7H8ClN
Molecular Weight141.60
XLogP1.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey
CXNVOWPRHWWCQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-toluidine
CAS: 95-69-2
CID: 7251
Formula: C7H8ClN
MW: 141.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.60
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass141.0345270
Monoisotopic Mass141.0345270
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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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