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CAS Number: 467442-11-1
tert-butyl 3,5-difluorobenzoate

Structure

tert-butyl 3,5-difluorobenzoate
Name: tert-butyl 3,5-difluorobenzoate
Synonyms:
General Information
Product Number: 467442111

CAS Registry Number 467442-11-1
Name:
Benzoic acid, 3,​5-​difluoro-​, 1,​1-​dimethylethyl ester

 

Chemical Formula: C11H12F2O2
Exact Mass: 214.08
Molecular Weight: 214.21
m/z: 214.08 (100.0%), 215.08 (12.0%)

 

InChI:InChI=1S/C11H12F2O2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3

InChI Key:NHVCNYLYDFGIJQ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=CC(=C1)F)F

 

Thermal Properties Value Condition Note
Melting Point 29-31 °C Solv: hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Do, Hien-Quang; Journal of the American Chemical Society 2011, V133(34), P13577-13586 CAPLUS
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