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CAS Number: 31295-66-6
4-iodo-5-methyl-3-phenylisoxazole

Structure

 4-iodo-5-methyl-3-phenylisoxazole
Name: 4-iodo-5-methyl-3-phenylisoxazole
Synonyms:
General Information
Product Number: 31295666

CAS Registry Number 31295-66-6
Name:
Isoxazole, 4-?iodo-?5-?methyl-?3-?phenyl-
4-Iodo-5-methyl-3-phenylisoxazole
3-Phenyl-4-iodo-5-methylisoxazole

 

Chemical Formula: C10H8INO
Exact Mass: 284.97
Molecular Weight: 285.08
m/z: 284.97 (100.0%), 285.97 (10.9%)

 

InChI:InChI=1S/C10H8INO/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,1H3

InChI Key:DDVPBKUHWSZYIP-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=NO1)C2=CC=CC=C2)I

 

Thermal Properties Value Condition Note
Melting Point 97-99 °C Solv: hexane (110-54-3); ethyl acetate (141-78-6) (1)CAS

Specification

98%
References
  1. (1) Okitsu, Takashi; Journal of Organic Chemistry 2011, V76(9), P3438-3449 CAPLUS
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