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CAS Number: 38169-98-1
5-chloro-2H-chromen-2-one

Structure

 5-chloro-2H-chromen-2-one
Name: 5-chloro-2H-chromen-2-one
Synonyms:
General Information
Product Number: 38169981

CAS Registry Number 38169-98-1
Name:
2H-?1-?Benzopyran-?2-?one, 5-?chloro-
5-Chloro-2H-1-benzopyran-2-one
5-Chlorocoumarin
NSC 26427

 

Chemical Formula: C9H5ClO2
Exact Mass: 180.00
Molecular Weight: 180.59
m/z: 180.00 (100.0%), 181.99 (32.0%), 181.00 (9.9%), 183.00 (3.2%)

 

InChI:InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H

InChI Key:VYFHMNIBSWVKIH-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CC(=O)O2)C(=C1)Cl

 

Thermal Properties Value Condition Note
Melting Point 94-95 °C Solv: hexane (110-54-3) (2)IC
Melting Point 91-94 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC
Melting Point 91 °C Solv: ethanol (64-17-5) (4)IC
Melting Point See full text   (1)CAS

Specification

98%
References
  1. (1) Bratulescu, George; Synthesis 2008, (18), P2871-2873 CAPLUS
  2. (2) Arad-Yellin, R.; Journal of Organic Chemistry 1983, V48(15), P2578-83 CAPLUS
  3. (3) Taylor, Richard T.; Synthesis 1982, (8), P672-3 CAPLUS
  4. (4) Hepworth, John D.; Tetrahedron 1981, V37(15), P2613-16 CAPLUS
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