Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Bromophenyl)-2-methylpropanenitrile |
EINECS | N/A |
CAS No. | 101184-73-0 | Density | 1.352g/cm3 |
PSA | 23.79000 | LogP | 3.25028 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 31 |
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