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CAS Number: 772-38-3
1-(tert-butyl)-4-ethynylbenzene

Structure

 1-(tert-butyl)-4-ethynylbenzene
Name: 1-(tert-butyl)-4-ethynylbenzene
Synonyms:
General Information
Product Number: 772383

CAS Registry Number 772-38-3
Name:
Benzene, 1-?(1,?1-?dimethylethyl)?-?4-?ethynyl-
Benzene, 1-tert-butyl-4-ethynyl- (7CI,8CI)
(4-tert-Butylphenyl)ethyne
1-Ethynyl-4-(t-Butyl)benzene
1-tert-Butyl-4-ethynylbenzene
4-tert-Butyl-1-ethynylbenzene

 

Chemical Formula: C12H14
Exact Mass: 158.11
Molecular Weight: 158.24
m/z: 158.11 (100.0%), 159.11 (13.0%)

 

InChI:InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3

InChI Key:ZSYQVVKVKBVHIL-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 67 °C Press: 1.7 Torr (1)CAS

Specification

98%
References

(1) Bott, R. W.; Journal of the Chemical Society 1965, (Jan.), P384-8 CAPLUS
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