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CAS Number: 30494-97-4
4-(chloromethyl)-2-phenyloxazole

Structure

4-(chloromethyl)-2-phenyloxazole
Name: 4-(chloromethyl)-2-phenyloxazole
Synonyms:
General Information
Product Number: 30494974
CAS Registry Number: 30494-97-4
Name:
        Oxazole, 4-​(chloromethyl)​-​2-​phenyl-
        2-​Phenyl-​4-​chloromethyloxazole; 4-​(Chloromethyl)​-​2-​phenyl-​1,​3-​oxazole; 4-​(Chloromethyl)​-​2-​phenyloxazole 
 
Chemical Formula: C10H8ClNO
Exact Mass: 193.03
Molecular Weight: 193.63
m/z: 193.03 (100.0%), 195.03 (32.2%), 194.03 (11.2%), 196.03 (3.5%)
Elemental Analysis: C, 62.03; H, 4.16; Cl, 18.31; N, 7.23; O, 8.26
 
InChI: InChI=1S/C10H8ClNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey: ANSKJZIDWXDAJW-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=NC(=CO2)CCl
 
Thermal Properties Value Condition Note
Melting Point 55-57 °C   (1)CAS
Melting Point 53-55 °C Solv: ligroine (8032-32-4); ethyl acetate (141-78-6) (2)CAS

Specification

98%

References
  1. (1) FR 1587052 1970 CAPLUS
  2. (2) Zhao, Qiqi; Journal of Agricultural and Food Chemistry 2009, V57(7), P2849-2855 CAPLUS
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