Benzeneacetonitrile, α-amino-4-bromo- supplier

Name
amino(4-bromophenyl)acetonitrile
EINECS
CAS No. 167024-66-0
Article Data6
CAS DataBase
Density 1.549 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂
Boiling Point 312.1 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 142.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Amino(4-bromophenyl)acetonitrile;
PSA 49.81000
LogP 2.67278

Benzeneacetonitrile, α-amino-4-bromo- Specification

The Benzeneacetonitrile, α-amino-4-bromo- has the CAS registry number 167024-66-0. This chemical's molecular formula is C₈H₇BrN₂ and molecular weight is 211.06. What's more, its systematic name is amino(4-bromophenyl)acetonitrile.

Physical properties of Benzeneacetonitrile, α-amino-4-bromo- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.24; (6)ACD/BCF (pH 7.4): 7.78; (7)ACD/KOC (pH 5.5): 140.54; (8)ACD/KOC (pH 7.4): 151.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.81 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 46.94 cm³; (15)Molar Volume: 136.2 cm³; (16)Polarizability: 18.61×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.549 g/cm³; (19)Flash Point: 142.6 °C; (20)Enthalpy of Vaporization: 55.31 kJ/mol; (21)Boiling Point: 312.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00054 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C#N)c1ccc(Br)cc1CopyCopied
(2)InChI: InChI=1S/C8H7BrN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
(3)InChIKey: LHCFHIRBHKYBFK-UHFFFAOYSA-N

Product Name

amino(4-bromophenyl)acetonitrile

Benzeneacetonitrile, α-amino-4-bromo- Specification

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