Benzene,1-(2-bromoethoxy)-4-(1,1-dimethylethyl)- supplier

Name
1-(2-BROMOETHOXY)-4-TERT-BUTYLBENZENE
EINECS
CAS No. 5952-59-0
Article Data10
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇BrO
Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 257.17
Flash Point 119 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Phenetole, β-bromo-p-tert-butyl- (7CI,8CI);1-(2-Bromoethoxy)-4-tert-butylbenzene;
PSA 9.23000
LogP 3.75780

Benzene,1-(2-bromoethoxy)-4-(1,1-dimethylethyl)- Specification

The Benzene, 1-(2-bromoethoxy)-4-(1, 1-dimethylethyl)-, with the CAS registry number of 5952-59-0, is also known as Phenetole, β-bromo-p-tert-butyl- (7CI, 8CI). This chemical's molecular formula is C₁₂H₁₇BrO and molecular weight is 257.17. What's more, its IUPAC name is 1-(2-Bromoethoxy)-4-tert-butylbenzene.

Physical properties about Benzene, 1-(2-bromoethoxy)-4-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1803.43; (6)ACD/BCF (pH 7.4): 1803.43; (7)ACD/KOC (pH 5.5): 7452.68; (8)ACD/KOC (pH 7.4): 7452.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 63.68 cm³; (15)Molar Volume: 209.8 cm³; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 1.225 g/cm³; (18)Flash Point: 119 °C; (19)Enthalpy of Vaporization: 51.97 kJ/mol; (20)Boiling Point: 301.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00191 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCOc1ccc(cc1)C(C)(C)C
(2) InChI: InChI=1/C12H17BrO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9H2,1-3H3
(3) InChIKey: FUKSVLFLNLWAFM-UHFFFAOYAH

Product Name

1-(2-BROMOETHOXY)-4-TERT-BUTYLBENZENE

Benzene,1-(2-bromoethoxy)-4-(1,1-dimethylethyl)- Specification

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