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CAS Number: 60710-39-6
3-bromo-4-methylphenol

Structure

 3-bromo-4-methylphenol
Name: 3-bromo-4-methylphenol
Synonyms:
General Information
Product Number: 60710396

CAS Registry Number 60710-39-6
Name:
Phenol, 3-?bromo-?4-?methyl-
2-Bromo-4-hydroxytoluene
3-Bromo-4-methylphenol

 

Chemical Formula: C7H7BrO
Exact Mass: 185.97
Molecular Weight: 187.03
m/z: 185.97 (100.0%), 187.97 (97.7%), 186.97 (7.7%), 188.97 (7.5%)
Elemental Analysis: C, 44.95; H, 3.77; Br, 42.72; O, 8.55

 

InChI:InChI=1S/C7H7BrO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

InChI Key:GMZKNRDHSHYMHG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C(C=C1)O)Br

 

Thermal Properties Value Condition Note
Boiling Point 95 °C Press: 3 Torr (1)CAS
Melting Point 57 °C   (3)IC
Melting Point 56-57 °C   (1)CAS
Melting Point 55 °C   (2)WSS
Melting Point 51 °C   (4)IC

Specification

98%
References
  1. (1) Carpenter, M. S.; Journal of Organic Chemistry 1955, V20, P401-11 CAPLUS
  2. (2) Fischer, Alfred; Canadian Journal of Chemistry 1983, V61(6), P1045-52 CAPLUS
  3. (3) Jacquesy, J. C.; Nouveau Journal de Chimie 1980, V4(12), P747-50 CAPLUS
  4. (4) Brittain, Judith M.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1981, (1), P32-41 CAPLUS
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