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5-Chloro-2-toluidine

CAT: 0572-TRC-C421605-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C421605-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95-79-4
Hazard Statement
No Data Available
Smiles
Cc1ccc(Cl)cc1N
Molecular Formula
C7 H8 Cl N
Molecular Weight
141.6
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
Additionnal Information
IUPAC name: 5-chloro-2-methylaniline
Shipping Conditions
Room Temperature

Chemical Information

5-Chloro-2-methylaniline

5-Chloro-o-toluidine and its strong acid salts can cause cancer according to an independent committee of scientific and health experts.

CAS Number95-79-4
PubChem CID7260
IUPAC Name5-chloro-2-methylaniline
Molecular FormulaC7H8ClN
Molecular Weight141.60
XLogP1.4
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=C(C=C1)Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey
WRZOMWDJOLIVQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-methylaniline
CAS: 95-79-4
CID: 7260
Formula: C7H8ClN
MW: 141.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.60
XLogP31.4
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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