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CAS Number: 57876-69-4
2-chloro-3-methylquinoline

Structure

 2-chloro-3-methylquinoline
Name: 2-chloro-3-methylquinoline
Synonyms:
General Information
Product Number: 57876694

CAS Registry Number 57876-69-4
Name:
Quinoline, 2-?chloro-?3-?methyl-
2-Chloro-3-methylquinoline
NSC 364026

 

Chemical Formula: C10H8ClN
Exact Mass: 177.03
Molecular Weight: 177.63
m/z: 177.03 (100.0%), 179.03 (32.0%), 178.04 (10.9%), 180.03 (3.6%)

 

InChI:InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3

InChI Key:UMYPPRQNLXTIEQ-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=CC=CC=C2N=C1Cl

 

Thermal Properties Value Condition Note
Melting Point 89-90 °C   (1)CAS
Melting Point 84 °C   (2)IC
Melting Point 83 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (3)IC
Melting Point 82-84 °C   (4)IC

Specification

98%
References
  1. (1) Ornstein, G.; Berichte der Deutschen Chemischen Gesellschaft 1907, V40, P1088-95 CAPLUS
  2. (2) Meth-Cohn, Otto; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (5), P1537-43 CAPLUS
  3. (3) Hino, Katsuhiko; Chemical & Pharmaceutical Bulletin 1987, V35(7), P2819-24 CAPLUS
  4. (4) Blackburn, Thomas P.; Journal of Medicinal Chemistry 1987, V30(12), P2252-9 CAPLUS
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