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CAS Number: 66728-98-1
4-bromo-1-chloroisoquinoline

Structure

 4-bromo-1-chloroisoquinoline
Name: 4-bromo-1-chloroisoquinoline
Synonyms:
General Information
Product Number: 66728981

CAS Registry Number 66728-98-1
Name:
Isoquinoline, 4-?bromo-?1-?chloro-
4-Bromo-1-chloroisoquinoline
1-Chloro-4-bromoisoquinoline

 

Chemical Formula: C9H5BrClN
Exact Mass: 240.93
Molecular Weight: 242.50
m/z: 242.93 (100.0%), 240.93 (77.4%), 244.92 (24.1%), 243.93 (9.8%), 241.93 (7.8%), 245.93 (2.4%)

 

InChI:InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H

InChI Key:HRWILRGBDZGABZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN=C2Cl)Br

 

Thermal Properties Value Condition Note
Melting Point 98 °C Solv: acetone (67-64-1) (2)CAS
Melting Point 97.5-98 °C   (3)CAS
Melting Point 97-98 °C Solv: isopropyl ether (108-20-3) (4)CAS
Melting Point 97 °C (decomp)   (5)CAS
Melting Point 95-98 °C   (4)CAS

Specification

98%
References
  1. (2) Ochiai, Eiji; Pharmaceutical Bulletin 1954, V2, P72-7 CAPLUS
  2. (3) Anderson, Elvin L.; Journal of the American Pharmaceutical Association, Scientific Edition 1952, V41, P643-50 CAPLUS
  3. (4) Sercel, Anthony D.; Synthetic Communications 2007, V37(23), P4199-4208 CAPLUS
  4. (5) Elpern, Bill; Journal of the American Chemical Society 1946, V68, P1436-8 CAPLUS
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