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CAS Number: 128259-63-2
2-chloro-7-methoxyquinoline-3-carbonitrile

Structure

 2-chloro-7-methoxyquinoline-3-carbonitrile
Name: 2-chloro-7-methoxyquinoline-3-carbonitrile
Synonyms:
General Information
Product Number: 128259632
CAS Registry Number: 128259-63-2
Name:
3-​Quinolinecarbonitril​e, 2-​chloro-​7-​methoxy-
 
Chemical Formula: C11H7ClN2O
Exact Mass: 218.02
Molecular Weight: 218.64
m/z: 218.02 (100.0%), 220.02 (32.0%), 219.03 (12.0%), 221.03 (3.9%)
Elemental Analysis: C, 60.43; H, 3.23; Cl, 16.22; N, 12.81; O, 7.32
 
InChI: InChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3
InChIKey: UTLRIOWIEJHVQJ-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=C1)C=C(C(=N2)Cl)C#N
 
Thermal Properties Value Condition Note
Melting Point 199.5-201.5 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 198-201 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 198-200 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (1)IC
Melting Point 147 °C   (2)CAS

Specification

98%
References
  1. (1) Adams, David R.; Synthetic Communications 1990, V20(3), P469-75 CAPLUS
  2. (2) Upadhyay, Shraddha; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2009, V48B(1), P152-154 CAPLUS
  3. (3) Bell, Malcolm R.; US 4920128 A 1990 CAPLUS
  4. (4) Srivastava, Ambika; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2006, V45B(1), P292-296 CAPLUS
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