Product Number: 5345051
CAS Registry Number: 5345-05-1
Name:
Benzene, 2-bromo-5-(1,1-dimethylethyl)-1,3-dimethyl-
1-Bromo-4-tert-butyl-2,6-dimethylbenzene; 2-Bromo-5-tert-butyl-1,3-dimethylbenzene; 2-Bromo-5-tert-butyl-m-xylene; 4-tert-Butyl-2,6-dimethylbromobenzene; NSC 2993
Chemical Formula: C12H17Br
Exact Mass: 240.05
Molecular Weight: 241.17
m/z: 240.05 (100.0%), 242.05 (97.3%), 241.05 (13.0%), 243.05 (12.6%)
Elemental Analysis: C, 59.76; H, 7.11; Br, 33.13
InChI: InChI=1S/C12H17Br/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3
InChIKey: HAIGIJCTBFVMEP-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=CC(=C1Br)C)C(C)(C)C
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
140 °C |
Press: 15 Torr |
(1)CAS |
| Boiling Point |
129-133 °C |
Press: 11-12 Torr |
(2)CAS |
| Boiling Point |
61-70 °C |
Press: 0.25 Torr |
(3)IC |
| Melting Point |
97 °C |
Solv: ligroine (8032-32-4) |
(5)CAS |
| Melting Point |
49 °C |
Solv: ligroine (8032-32-4) |
(2)CAS |
| Melting Point |
48-50 °C |
|
(12)CAS |
| Melting Point |
48-50 °C |
|
(13)CAS |
| Melting Point |
47-48 °C |
Solv: ethanol (64-17-5) |
(7)IC |
| Melting Point |
45 °C |
|
(1)CAS |
|
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