CAS:66728-98-1 / 4-bromo-1-chloroisoquinoline--Hangzhou Chempro Technology Co., Ltd.

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

Structure
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

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

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