4-Bromo-3-methoxybenzonitrile supplier

Name
4-Bromo-3-methoxybenzonitrile
EINECS
CAS No. 120315-65-3
Article Data5
CAS DataBase
Density 1.563 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO
Boiling Point 265.3 °C at 760 mmHg
Molecular Weight 212.046
Flash Point 114.25 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methoxy-4-bromobenzonitrile;4-Bromo-3-methoxybenzonitrile;
PSA 33.02000
LogP 2.32938

4-Bromo-3-methoxybenzonitrile Specification

The Benzonitrile, 4-bromo-3-methoxy-, with the CAS registry number of 120315-65-3, is also known as 3-Methoxy-4-bromobenzonitrile. It belongs to the product categories of Blocks; Bromides; Carboxes; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. This chemical's molecular formula is C₈H₆BrNO and molecular weight is 212.0433. What's more, its systematic name is called 4-Bromo-3-methoxybenzonitrile.

Physical properties about Benzonitrile, 4-bromo-3-methoxy- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 296; (8)ACD/KOC (pH 7.4): 296; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 45.406 cm³; (15)Molar Volume: 135.637 cm³; (16)Surface Tension: 51.129 dyne/cm; (17)Density: 1.563 g/cm³; (18)Flash Point: 114.25 °C; (19)Enthalpy of Vaporization: 50.322 kJ/mol; (20)Boiling Point: 265.3 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1Br)C#N
(2) InChI: InChI=1/C8H6BrNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
(3) InChIKey: TWBFZKKJFREYES-UHFFFAOYAE

Product Name

4-Bromo-3-methoxybenzonitrile

4-Bromo-3-methoxybenzonitrile Specification

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