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CAS Number: 22385-77-9
1-bromo-3,5-di-tert-butylbenzene

Structure

1-bromo-3,5-di-tert-butylbenzene
Name: 1-bromo-3,5-di-tert-butylbenzene
Synonyms:
General Information
Product Number: 22385779

CAS Registry Number 22385-77-9
Name:
Benzene, 1-​bromo-​3,​5-​bis(1,​1-​dimethylethyl)​-
Benzene, 1-bromo-3,5-di-tert-butyl- (6CI,7CI,8CI)
1,3-Di-tert-butyl-5-bromobenzene
1-Bromo-3,5-di-tert-butylbenzene
1-Bromo-3,5-tert-butylbenzene
3,5-Di-tert-butylbromobenzene

 

Chemical Formula: C14H21Br
Exact Mass: 268.08
Molecular Weight: 269.22
m/z: 268.08 (100.0%), 270.08 (97.3%), 269.09 (15.4%), 271.08 (14.7%), 270.09 (1.1%), 272.09 (1.1%)

 

InChI:InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3

InChI Key:BUOWTUULDKULFI-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 152-156 °C Press: 26 Torr (1)CAS
Boiling Point 150-158 °C Press: 17 Torr (2)CAS
Boiling Point 147-148 °C Press: 12 Torr (1)CAS
Boiling Point 100 °C Press: 10 Torr (3)CAS
Melting Point 64-64.5 °C   (7)CAS
Melting Point 63-64 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 10 °C   (3)CAS

Specification

98%

References
  1. (1) Bartlett, Paul Doughty; Journal of the American Chemical Society 1954, V76, P2349-53 CAPLUS
  2. (2) Frampton, Michael J.; Organic Letters 2005, V7(24), P5365-5368 CAPLUS
  3. (3) Rundel, Wolfgang; Chemische Berichte 1963, V96, P636-7 CAPLUS
  4. (7) Burgers, J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1956, V75, P1327-42 CAPLUS
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