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CAS Number: 80775-42-4
1-(5-bromothiophen-2-yl)-3-chloropropan-1-one

Structure

1-(5-bromothiophen-2-yl)-3-chloropropan-1-one
Name: 1-(5-bromothiophen-2-yl)-3-chloropropan-1-one
Synonyms:
General Information
Product Number: 80775424
CAS Registry Number: 80775-42-4
Name:
        1-​Propanone, 1-​(5-​bromo-​2-​thienyl)​-​3-​chloro-
        1-​(5-​Bromothiophen-​2-​yl)​-​3-​chloropropan-​1-​one 
 
Chemical Formula: C7H6BrClOS
Exact Mass: 251.90
Molecular Weight: 253.54
m/z: 253.90 (100.0%), 251.90 (74.7%), 255.90 (23.6%), 254.90 (8.4%), 252.90 (6.3%), 255.89 (4.4%), 256.90 (2.3%), 257.89 (1.1%)
Elemental Analysis: C, 33.16; H, 2.39; Br, 31.51; Cl, 13.98; O, 6.31; S, 12.65
 
InChI: InChI=1S/C7H6BrClOS/c8-7-2-1-6(11-7)5(10)3-4-9/h1-2H,3-4H2
InChIKey: OBPFDXHKDIMYBQ-UHFFFAOYSA-N
Canonical SMILES : C1=C(SC(=C1)Br)C(=O)CCCl
 
Thermal Properties Value Condition Note
Melting Point 58-59 °C Solv: methanol (67-56-1); water (7732-18-5) (1)IC
 

Specification

98%

References
  1. (1) Del Agua, M. J.; Journal of Heterocyclic Chemistry 1981, V18(7), P1345-7 CAPLUS
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