Benzeneacetonitrile,2-[(2-methylphenoxy)methyl]-a-oxo- supplier

Name
2-(2-methylphenoxymethyl)benzoyl cyanide
EINECS
CAS No. 143211-11-4
Article Data5
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₃O₂N
Boiling Point 399.6 °C at 760 mmHg
Molecular Weight 251.285
Flash Point 174.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-Methylphenoxymethyl)benzoyl cyanide;
PSA
LogP

Benzeneacetonitrile,2-[(2-methylphenoxy)methyl]-a-oxo- Specification

The Benzeneacetonitrile, 2-[(2-methylphenoxy)methyl]-a-oxo-, with the CAS registry number 143211-11-4, is also known as 2-(2-Methylphenoxymethyl)benzoyl cyanide. This chemical's molecular formula is C₁₆H₁₃O₂N and molecular weight is 251.27992. What's more, its systematic name is {2-[(2-Methylphenoxy)methyl]phenyl}(oxo)acetonitrile.

Physical properties about Benzeneacetonitrile, 2-[(2-methylphenoxy)methyl]-a-oxo- 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)ACD/BCF (pH 5.5): 126.91; (6)ACD/BCF (pH 7.4): 126.91; (7)ACD/KOC (pH 5.5): 1115.06; (8)ACD/KOC (pH 7.4): 1115.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 72.18 cm³; (15)Molar Volume: 215.3 cm³; (16)Polarizability: 28.61×10^-24 cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 65.04 kJ/mol; (21)Boiling Point: 399.6 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(=O)c2ccccc2COc1ccccc1C
(2) InChI: InChI=1/C16H13NO2/c1-12-6-2-5-9-16(12)19-11-13-7-3-4-8-14(13)15(18)10-17/h2-9H,11H2,1H3
(3) InChIKey: SLVQLQSCRLIDRC-UHFFFAOYAI

Product Name

2-(2-methylphenoxymethyl)benzoyl cyanide

Benzeneacetonitrile,2-[(2-methylphenoxy)methyl]-a-oxo- Specification

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