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CAS Number: 40254-89-5
3-chloroquinoxaline-2-carbonitrile

Structure

3-chloroquinoxaline-2-carbonitrile
Name: 3-chloroquinoxaline-2-carbonitrile
Synonyms:
General Information
Product Number: 40254895

CAS Registry Number 40254-89-5
Name:
2-​Quinoxalinecarbonitr​ile, 3-​chloro-
2-Chloro-3-cyanoquinoxaline
2-Chloroquinoxaline-3-carbonitrile
2-Cyano-3-chloroquinoxaline
3-Chloro-2-quinoxalinecarbonitrile

 

Chemical Formula: C9H4ClN3
Exact Mass: 189.01
Molecular Weight: 189.60
m/z: 189.01 (100.0%), 191.01 (32.1%), 190.01 (10.8%), 192.01 (3.1%)

 

InChI:InChI=1S/C9H4ClN3/c10-9-8(5-11)12-6-3-1-2-4-7(6)13-9/h1-4H

InChI Key:XZGCIEFNBLLTSN-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)N=C(C(=N2)Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 200-201 °C Solv: N,N-dimethylformamide (68-12-2) (1)IC
Melting Point 159-160 °C   (2)IC
Melting Point 157-158 °C   (3)IC

Specification

98%

References
  1. (1) Monge, A.; Anales de Quimica, Serie C: Quimica Organica y Bioquimica 1988, V84(3), P364-6 CAPLUS
  2. (2) Yoshida, Kei; Chemical & Pharmaceutical Bulletin 1984, V32(9), P3361-5 CAPLUS
  3. (3) Lippmann, Eberhard; Zeitschrift fuer Chemie 1990, V30(7), P251-2 CAPLUS
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