2-(4-Bromophenyl)-2-methylpropanenitrile supplier

Name
2-(4-Bromophenyl)-2-methylpropanenitrile
EINECS
CAS No. 101184-73-0
Article Data31
CAS DataBase
Density 1.352g/cm³
Solubility
Melting Point 110-113 °C
Formula C₁₀H₁₀BrN
Boiling Point 299.8 °C at 760 mmHg
Molecular Weight 224.1
Flash Point 135.1 °C
Transport Information
Appearance
Safety
Risk Codes 22-51
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Bromo-4-(1-cyano-1-methylethyl)benzene;2-(4-Bromophenyl)-2,2-dimethylacetonitrile;2-(4-Bromophenyl)-2-methylpropanenitrile;2-(4-Bromophenyl)-2-methylpropionitrile;4-Bromo-a,a-dimethylbenzeneacetonitrile;
PSA 23.79000
LogP 3.25028

2-(4-Bromophenyl)-2-methylpropanenitrile Specification

The 2-(4-Bromophenyl)-2-methylpropanenitrile, its cas register number is 101184-73-0. It also can be called as Benzeneacetonitrile,4-bromo-a,a-dimethyl- and the Systematic name about this chemical is 2-(4-bromophenyl)-2-methylpropanenitrile. It belongs to the following product categories, such as blocks, Bromides, Carboxes and so on. If you want to store this chemical, please keep cold.

Physical properties about 2-(4-Bromophenyl)-2-methylpropanenitrile are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.13; (6)ACD/BCF (pH 7.4): 97.13; (7)ACD/KOC (pH 5.5): 920.82; (8)ACD/KOC (pH 7.4): 920.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 ?2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 52.24 cm3; (15)Molar Volume: 165.6 cm3; (16)Polarizability: 20.71 10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Enthalpy of Vaporization: 53.98 kJ/mol; (19)Vapour Pressure: 0.00117 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(C#N)(C)C
(2)InChI: InChI=1/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
(3)InChIKey: DABJLFKRJWUXMV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
(5)Std. InChIKey: DABJLFKRJWUXMV-UHFFFAOYSA-N

Product Name

2-(4-Bromophenyl)-2-methylpropanenitrile

2-(4-Bromophenyl)-2-methylpropanenitrile Specification

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