3-Bromo-4-chlorobenzonitrile supplier

Name
3-BROMO-4-CHLOROBENZONITRILE
EINECS
CAS No. 948549-53-9
Article Data4
CAS DataBase
Density 1.74 g/cm³
Solubility
Melting Point
Formula C₇H₃BrClN
Boiling Point 260.172 °C at 760 mmHg
Molecular Weight 216.465
Flash Point 111.148 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-BROMO-4-CHLOROBENZONITRILE;Benzonitrile, 3-bromo-4-chloro-;LogP
PSA 23.79000
LogP 2.97418

3-Bromo-4-chlorobenzonitrile Specification

The 3-Bromo-4-chlorobenzonitrile, with the CAS registry number 948549-53-9, is also known as Benzonitrile, 3-bromo-4-chloro-. This chemical's molecular formula is C₇H₃BrClN and molecular weight is 216.46. What's more, its systematic name is 3-Bromo-4-chlorobenzonitrile.

Physical properties of 3-Bromo-4-chlorobenzonitrile are: (1)ACD/LogP: 2.589; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.65; (6)ACD/BCF (pH 7.4): 54.65; (7)ACD/KOC (pH 5.5): 610.10; (8)ACD/KOC (pH 7.4): 610.10; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 43.869 cm³; (15)Molar Volume: 124.383 cm³; (16)Polarizability: 17.391×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.74 g/cm³; (19)Flash Point: 111.148 °C; (20)Enthalpy of Vaporization: 49.785 kJ/mol; (21)Boiling Point: 260.172 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C#N)cc1Br
(2)Std. InChI: InChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
(3)Std. InChIKey: GTTSCQCUEKBTNZ-UHFFFAOYSA-N

Product Name

3-BROMO-4-CHLOROBENZONITRILE

3-Bromo-4-chlorobenzonitrile Specification

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