5-Amino-2-bromobenzonitrile supplier

Name
5-AMINO-2-BROMOBENZONITRILE
EINECS
CAS No. 72115-09-4
Article Data1
CAS DataBase
Density 1.68g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂
Boiling Point 339.4 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 159.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Amino-2-bromobenzonitrile;
PSA 49.81000
LogP 2.48418

5-Amino-2-bromobenzonitrile Specification

The 5-Amino-2-bromobenzonitrile, with CAS registry number 72115-09-4, has the systematic name of 5-amino-2-bromobenzonitrile. This chemical belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)Carboxes. Besides this, it is also called benzonitrile, 5-amino-2-bromo-. And the chemical formula of this chemical is C₇H₅BrN₂.

Physical properties of 5-Amino-2-bromobenzonitrile: (1)ACD/LogP: 1.98; (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: 27.03 Å²; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 42.65 cm³; (9)Molar Volume: 116.6 cm³; (10)Polarizability: 16.91×10^-24cm³; (11)Surface Tension: 65.7 dyne/cm; (12)Enthalpy of Vaporization: 58.28 kJ/mol; (13)Vapour Pressure: 9.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(ccc1Br)N
(2)InChI: InChI=1/C7H5BrN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
(3)InChIKey: VAWTVSTXVGCVJW-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
(5)Std. InChIKey: VAWTVSTXVGCVJW-UHFFFAOYSA-N

Product Name

5-AMINO-2-BROMOBENZONITRILE

5-Amino-2-bromobenzonitrile Specification

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