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CAS Number: 452-78-8
3-fluoro-4-methylphenol

Structure

 3-fluoro-4-methylphenol
Name: 3-fluoro-4-methylphenol
Synonyms:
General Information
Product Number: 452788

CAS Registry Number 452-78-8
Name:
Phenol, 3-?fluoro-?4-?methyl-
p-Cresol, 3-fluoro- (6CI,8CI)
3-Fluoro-4-methylphenol
3-Fluoro-4-cresol

 

Chemical Formula: C7H7FO
Exact Mass: 126.05
Molecular Weight: 126.13
m/z: 126.05 (100.0%), 127.05 (7.7%)

 

InChI:InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

InChI Key:GJOOCAXPERKNMN-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 194-196 °C Press: 760 Torr (1)CAS
Boiling Point 170-175 °C Press: 745 Torr (2)CAS
Boiling Point 105-110 °C Press: 25 Torr (3)CAS
Boiling Point 88-89 °C Press: 10 Torr (4)CAS
Melting Point 72 °C   (5)CAS

Specification

98%
References
  1. (1) Brown, J. H.; Journal of the Chemical Society 1949, (Suppl. Issue No. 1), PS95-9 CAPLUS
  2. (2) Lock, Gunther; Monatshefte fuer Chemie 1959, V90, P680-2 CAPLUS
  3. (3) Britton, Edgar C.; US 2950325 1960 CAPLUS
  4. (4) Bennett, Edward L.; Journal of the American Chemical Society 1950, V72, P1806-7 CAPLUS
  5. (5) Tierling, Thomas; Berichte des Forschungszentrums Juelich 2002, (Juel-3952), Pi-vi, 1-111 CAPLUS
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