3-Phenoxybenzaldehyde cyanohydrin supplier

Name
3-PHENOXYBENZALDEHYDE CYANOHYDRIN, 70 WT% SOLUTION IN ETHER
EINECS 254-486-6
CAS No. 39515-47-4
Article Data78
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 79℃ (ethanol )
Formula C₁₄H₁₁NO₂
Boiling Point 399.8 °C at 760 mmHg
Molecular Weight 225.247
Flash Point 195.6 °C
Transport Information
Appearance clear orange solution
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Phenoxybenzaldehyde cyanohydrin;alpha-Hydroxy-m-phenoxyphenylacetonitrile;(3-Phenoxyphenyl)glycolonitrile;Hydroxy(3-phenoxyphenyl)acetonitrile;
PSA 53.25000
LogP 3.03588

3-Phenoxybenzaldehyde cyanohydrin Specification

The Benzeneacetonitrile, α-hydroxy-3-phenoxy-, with the CAS registry number 39515-47-4, is also known as m-Phenoxybenzaldehyde cyanohydrin. Its EINECS number is 254-486-6. This chemical's molecular formula is C₁₄H₁₁NO₂ and molecular weight is 225.24. What's more, its systematic name is hydroxy(3-phenoxyphenyl)acetonitrile. It should be sealed and stored in a cool and dry place.

Physical properties of Benzeneacetonitrile, α-hydroxy-3-phenoxy- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.31; (6)ACD/BCF (pH 7.4): 82.21; (7)ACD/KOC (pH 5.5): 817.87; (8)ACD/KOC (pH 7.4): 816.93; (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: 1.606; (14)Molar Refractivity: 63.69 cm³; (15)Molar Volume: 184.4 cm³; (16)Polarizability: 25.25×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 195.6 °C; (20)Enthalpy of Vaporization: 68.61 kJ/mol; (21)Boiling Point: 399.8 °C at 760 mmHg; (22)Vapour Pressure: 4.13E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(O)c2cc(Oc1ccccc1)ccc2
(2)Std. InChI: InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H
(3)Std. InChIKey: GXUQMKBQDGPMKZ-UHFFFAOYSA-N

Product Name

3-PHENOXYBENZALDEHYDE CYANOHYDRIN, 70 WT% SOLUTION IN ETHER

3-Phenoxybenzaldehyde cyanohydrin Specification

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