Benzonitrile,3-bromo-5-methoxy- supplier

Name
3-BROMO-5-METHOXY BENZONITRILE
EINECS
CAS No. 867366-91-4
Article Data12
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO
Boiling Point 253.5 °C at 760 mmHg
Molecular Weight 212.046
Flash Point 107.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-methoxybenzonitrile;
PSA 33.02000
LogP 2.32938

Benzonitrile,3-bromo-5-methoxy- Specification

The Benzonitrile,3-bromo-5-methoxy-, with CAS registry number 867366-91-4, has the synonyms of 3-Bromo-5-methoxy benzonitrile. Its molecular weight is 212.04. And the chemical formula of this chemical is C₈H₆BrNO.

Physical properties of Benzonitrile,3-bromo-5-methoxy-: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 33.02 Å²; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 45.4 cm³; (11)Molar Volume: 135.6 cm³; (12)Polarizability: 18×10^-24cm³; (13)Surface Tension: 51.1 dyne/cm; (14)Density: 1.56 g/cm³; (15)Flash Point: 107.1 °C; (16)Enthalpy of Vaporization: 49.09 kJ/mol; (17)Boiling Point: 253.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0182 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1)Br)C#N
(2)InChI: InChI=1/C8H6BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3
(3)InChIKey: NNWRYZGZCCTKQW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3
(5)Std. InChIKey: NNWRYZGZCCTKQW-UHFFFAOYSA-N

Product Name

3-BROMO-5-METHOXY BENZONITRILE

Benzonitrile,3-bromo-5-methoxy- Specification

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