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CAS Number: 72235-56-4
(3-chloro-4-fluorophenyl)methanamine

Structure

(3-chloro-4-fluorophenyl)methanamine
Name: (3-chloro-4-fluorophenyl)methanamine
Synonyms:
General Information
Product Number: 72235564
CAS Registry Number: 72235-56-4
Name:
Benzenemethanamine, 3-​chloro-​4-​fluoro-
(3-​Chloro-​4-​fluorophenyl)​methanamine; 1-​(3-​Chloro-​4-​fluorophenyl)​methanamine; 3-​Chloro-​4-​fluorobenzenemethana​mine; 3-​Chloro-​4-​fluorobenzylamine; N-​[(3-​Chloro-​4-​fluorophenyl)​methyl]​amine; [(3-​Chloro-​4-​fluorophenyl)​methyl]​amine 
 
Chemical Formula: C7H7ClFN
Exact Mass: 159.03
Molecular Weight: 159.59
m/z: 159.03 (100.0%), 161.02 (32.0%), 160.03 (7.7%), 162.03 (2.4%)
Elemental Analysis: C, 52.68; H, 4.42; Cl, 22.22; F, 11.90; N, 8.78
 
InChI: InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2
InChIKey: LQAUXDMGRBWDIU-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1CN)Cl)F
 
Thermal Properties Value Condition Note
Melting Point 262-263 °C Solv: N,N-dimethylformamide (68-12-2) (1)CAS

Specification

98%

References
  1. (1) Dolezal, Karel; Bioorganic & Medicinal Chemistry 2006, V14(3), P875-884 CAPLUS
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