Benzonitrile,2-[2-(hydroxymethyl)phenoxy]- supplier

Name
2-[2-(HYDROXYMETHYL)PHENOXY]BENZENECARBONITRILE
EINECS
CAS No. 59167-65-6
Density 1.25 g/cm³
Solubility
Melting Point 54-57 °C
Formula C₁₄H₁₁NO₂
Boiling Point 380.4 °C at 760 mmHg
Molecular Weight 225.247
Flash Point 183.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[2-(HYDROXYMETHYL)PHENOXY]BENZENECARBONITRILE
PSA 53.25000
LogP 2.84288

Benzonitrile,2-[2-(hydroxymethyl)phenoxy]- Specification

The Benzonitrile,2-[2-(hydroxymethyl)phenoxy]- is an organic compound with the formula C₁₄H₁₁NO₂. The IUPAC name of this chemical is 2-[2-(Hydroxymethyl)phenoxy]benzonitrile. Its CAS registry number is 59167-65-6. In addition, the molecular weight is 225.24.

Physical properties about Benzonitrile,2-[2-(hydroxymethyl)phenoxy]- are: (1)ACD/LogP: 2.76; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.85; (6)ACD/BCF (pH 7.4): 73.85; (7)ACD/KOC (pH 5.5): 756.78; (8)ACD/KOC (pH 7.4): 756.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 63.92 cm³; (15)Molar Volume: 179.9 cm³; (16)Polarizability: 25.34×10^-24 cm³; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 183.9 °C; (20)Enthalpy of Vaporization: 66.3 kJ/mol; (21)Boiling Point: 380.4 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2c(Oc1ccccc1CO)cccc2
(2) InChI: InChI=1/C14H11NO2/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,16H,10H2
(3) InChIKey: UTBJBTJQWREABX-UHFFFAOYAG

Product Name

2-[2-(HYDROXYMETHYL)PHENOXY]BENZENECARBONITRILE

Benzonitrile,2-[2-(hydroxymethyl)phenoxy]- Specification

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