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Benzonitrile,4-amino-3-bromo-5-chloro-

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Name

Benzonitrile,4-amino-3-bromo-5-chloro-

EINECS N/A
CAS No. 201857-39-8 Density 1.81 g/cm3
PSA 49.81000 LogP 3.13758
Solubility N/A Melting Point 109-111 °C
Formula C7H4BrClN2 Boiling Point 292.3 °C at 760 mmHg
Molecular Weight 231.48 Flash Point 130.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 201857-39-8 (Benzonitrile,4-amino-3-bromo-5-chloro-) Hazard Symbols N/A
Synonyms

4-Amino-3-bromo-5-chlorobenzonitrile;

Article Data 1

Benzonitrile,4-amino-3-bromo-5-chloro- Specification

The Benzonitrile,4-amino-3-bromo-5-chloro-, with the CAS registry number 201857-39-8, is also known as 4-Amino-3-bromo-5-chlorobenzonitrile. This chemical's molecular formula is C7H4BrClN2 and molecular weight is 231.48. What's more, its systematic name is called 4-Amino-3-bromo-5-chloro-benzonitrile.

Physical properties about Benzonitrile,4-amino-3-bromo-5-chloro- are: (1) ACD/LogP: 3.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.07; (4) ACD/LogD (pH 7.4): 3.07; (5) #H bond acceptors: 2; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 1; (8) Polar Surface Area: 49.81 Å2; (9) Index of Refraction: 1.665; (10) Molar Refractivity: 47.48 cm3; (11) Molar Volume: 127.8 cm3; (12) Surface Tension: 69.6 dyne/cm; (13) Density: 1.81 g/cm3; (14) Flash Point: 130.6 °C; (15) Enthalpy of Vaporization: 53.18 kJ/mol; (16) Boiling Point: 292.3 °C at 760 mmHg; (17) Vapour Pressure: 0.00185 mmHg at 25 °C; (18) Melting Point: 109-111 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Br)c1N)C#N
(2) InChI: InChI=1/C7H4BrClN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
(3) InChIKey: RVAYUALQDNDXJD-UHFFFAOYAA

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