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2-Amino-4-bromobenzonitrile

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Name

2-Amino-4-bromobenzonitrile

EINECS N/A
CAS No. 304858-65-9 Density 1.69 g/cm3
PSA 49.81000 LogP 2.48418
Solubility N/A Melting Point N/A
Formula C7H5BrN2 Boiling Point 317.825 °C at 760 mmHg
Molecular Weight 197.034 Flash Point 146.015 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 304858-65-9 (2-AMINO-4-BROMOBENZONITRILE) Hazard Symbols N/A
Synonyms

2-Amino-4-bromobenzonitrile;benzonitrile, 2-amino-4-bromo-;

Article Data 5

2-Amino-4-bromobenzonitrile Specification

The 2-Amino-4-bromobenzonitrile, with the CAS registry number 304858-65-9, is also called benzonitrile, 2-amino-4-bromo-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H5BrN2.

The characteristics of 2-Amino-4-bromobenzonitrile are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 49.81 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 42.659 cm3; (9)Molar Volume: 116.611 cm3; (10)Polarizability: 16.911×10-24cm3; (11)Surface Tension: 65.73 dyne/cm; (12)Density: 1.69 g/cm3; (13)Flash Point: 146.015 °C; (14)Enthalpy of Vaporization: 55.927 kJ/mol; (15)Boiling Point: 317.825 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1c(cc(Br)cc1)N
(2)InChI: InChI=1/C7H5BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
(3)InChIKey: PWJBXJQMHYIRKI-UHFFFAOYAU

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