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CAS Number: 39959-54-1
(3-bromophenyl)methanamine hydrochloride

Structure

(3-bromophenyl)methanamine hydrochloride
Name: (3-bromophenyl)methanamine hydrochloride
Synonyms:
General Information
Product Number: 39959541

CAS Registry Number 39959-54-1
(Component: 10269-01-9)
Name:
Benzenemethanamine, 3-?bromo-?, hydrochloride (1:1)
Benzenemethanamine, 3-bromo-, hydrochloride (9CI)
Benzylamine, m-bromo-, hydrochloride (6CI,7CI)
(3-Bromophenyl)methanamine hydrochloride
1-(3-Bromophenyl)methanamine hydrochloride
3-Bromobenzylamine hydrochloride

 

Chemical Formula: C7H9BrClN
Exact Mass: 220.96
Molecular Weight: 222.51
m/z: 222.96 (100.0%), 220.96 (77.4%), 224.96 (24.1%), 223.96 (8.0%), 221.96 (6.1%), 225.96 (1.8%)

 

InChI:InChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H

InChI Key:UGEQUCUBWNAUJS-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)Br)CN.Cl

 

Thermal Properties Value Condition Note
Melting Point 256-257 °C Solv: N,N-dimethylformamide (68-12-2) (5)CAS
Melting Point 212-214 °C Solv: acetonitrile (75-05-8) (6)CAS
Melting Point 212 °C   (7)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (2) Hardcastle, Ian R.; Journal of Medicinal Chemistry 2011, V54(5), P1233-1243 CAPLUS
  2. (5) Dolezal, Karel; Bioorganic & Medicinal Chemistry 2006, V14(3), P875-884 CAPLUS
  3. (6) Shapiro, Seymour L.; Journal of the American Chemical Society 1959, V81, P3728-36 CAPLUS
  4. (7) Rupe, H.; Helvetica Chimica Acta 1930, V13, P457-73 CAPLUS
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