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CAS Number: 59907-12-9
3-Bromo-2-fluorotoluene

Structure

3-Bromo-2-fluorotoluene
Name: 3-Bromo-2-fluorotoluene
Synonyms:
General Information
Product Number: 59907129
CAS Registry Number:
59907-12-9
Name:
Benzene, 1-bromo-2-fluoro-3-methyl-
1-Bromo-2-fluoro-3-methylbenzene 
 
Chemical Formula: C7H6BrF
Exact Mass: 187.96
Molecular Weight: 189.02
m/z: 187.96 (100.0%), 189.96 (97.3%), 188.97 (7.6%), 190.96 (7.4%)
Elemental Analysis: C, 44.48; H, 3.20; Br, 42.27; F, 10.05
 
InChI: InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey: LZVNGSFAHGKCDM-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=CC=C1)Br)F
 
Thermal Properties Value Condition Note
Boiling Point 185-186 °C Press: 760 Torr (1)IC

Specification

98%

References
  1. (1) Newman, Melvin S.; Journal of Organic Chemistry 1976, V41(21), P3356-9 CAPLUS
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