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CAS Number: 83070-15-9
1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone

Structure

 1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone
Name: 1-(benzo[d][1,3]dioxol-5-yl)-2-chloroethanone
Synonyms:
General Information
Product Number: 83070159

CAS Registry Number 83070-15-9
Name:
Ethanone, 1-?(1,?3-?benzodioxol-?5-?yl)?-?2-?chloro-
1-(1,3-Benzodioxol-5-yl)-2-chloroethanone
1-(Benzo[d][1,3]dioxol-5-yl)-2-chloroethanone
2-Chloro-1-(3,4-methylenedioxyphenyl)ethanone

 

Chemical Formula: C9H7ClO3
Exact Mass: 198.01
Molecular Weight: 198.60
m/z: 198.01 (100.0%), 200.01 (32.6%), 199.01 (9.9%), 201.01 (3.2%)

 

InChI:InChI=1S/C9H7ClO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3H,4-5H2

InChI Key:BXFOLSYNIOADPQ-UHFFFAOYSA-N

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C(=O)CCl

 

Thermal Properties Value Condition Note
Melting Point 89 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (1)CAS

Specification

98%
References
  1. (1) Antunes, Heidi; Tetrahedron: Asymmetry 2004, V15(17), P2615-2620 CAPLUS
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