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CAS Number: 2198-66-5
2-bromo-4-(tert-butyl)phenol

Structure

2-bromo-4-(tert-butyl)phenol
Name: 2-bromo-4-(tert-butyl)phenol
Synonyms:
General Information
Product Number: 2198665

CAS Registry Number 2198-66-5
Name:
Phenol, 2-​bromo-​4-​(1,​1-​dimethylethyl)​-
Phenol, 2-bromo-4-tert-butyl- (6CI,7CI)
2-Bromo-4-(1,1-dimethylethyl)phenol
2-Bromo-4-tert-butylphenol
2-Bromo-4-tert-butylphenol
4-tert-Butyl-2-bromophenol

 

Chemical Formula: C10H13BrO
Exact Mass: 228.01
Molecular Weight: 229.11
m/z: 228.01 (100.0%), 230.01 (97.3%), 229.02 (11.0%), 231.02 (10.7%)

 

InChI:InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

InChI Key:FFRLMQPMGIMHHQ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 113 °C Press: 9 Torr (1)CAS
Boiling Point 110 °C Press: 5 Torr (2)IC
Melting Point 52 °C   (10)CAS
Melting Point 50-51 °C   (11)CAS
Melting Point 49-51 °C   (12)CAS

Specification

98%

References
  1. (1) Rosenwald, R. H.; Journal of the American Chemical Society 1952, V74, P4602-3 CAPLUS
  2. (2) Pearson, D. E.; Synthetic Communications 1979, V9(1), P5-10 CAPLUS
  3. (10) Jones, Brynmor; Journal of the Chemical Society 1941, P358-64 CAPLUS
  4. (11) Xu, Li; Synlett 2011, (15), P2265-2269 CAPLUS
  5. (12) Mokhtary, Masoud; Chinese Chemical Letters 2011, V22(1), P13-17 CAPLUS
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