| Identification | |||||||||||||
| Name: | Benzeneacetonitrile, a-hydroxy-3-phenoxy-, (aS)- | ||||||||||||
| Synonyms: | Benzeneacetonitrile,a-hydroxy-3-phenoxy-, (S)-;(S)-(-)-a-Cyano-3-phenoxybenzyl alcohol;(S)-a-Cyano-3-phenoxybenzyl alcohol;(S)-a-Cyano-m-phenoxybenzyl alcohol;(aS)-a-Hydroxy-3-phenoxybenzeneacetonitrile;3-Phenoxybenzaldehyde (S)-cyanohydrin;S-3-Phenoxy benzaldehyde cyanohydrin; | ||||||||||||
| CAS: | 61826-76-4 | ||||||||||||
| Molecular Formula: | C14H11NO2 | ||||||||||||
| Molecular Weight: | 225.24 | ||||||||||||
| InChI: | InChI=1/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1 | ||||||||||||
| Molecular Structure: |  |
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| Properties | |||||||||||||
| Density: | 1.221 g/cm3 | ||||||||||||
| Refractive index: | 1.607 | ||||||||||||
| Specification: |
The IUPAC name of (S)-3-Phenoxybenzaldehyde cyanohydrin is 2-hydroxy-2-(3-phenoxyphenyl)acetonitrile . With the CAS registry number 61826-76-4, it is also named as (S)-(-)-alpha-Cyano-3-phenoxybenzyl alcohol ; Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (S)- ; alpha-Hydroxy-3-phenoxybenzeneacetonitrile (alphaS)- ; Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- . The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 82 ; (2)ACD/BCF (pH 7.4): 82 ; (3)ACD/KOC (pH 5.5): 818 ; (4)ACD/KOC (pH 7.4): 817 ; (5)#H bond acceptors: 3 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 4 ; (8)Index of Refraction: 1.607 ; (9)Molar Refractivity: 63.697 cm3 ; (10)Molar Volume: 184.475 cm3 ; (11)Polarizability: 25.251×10-24 cm3 ; (12)Surface Tension: 53.4 dyne/cm ; (13)Enthalpy of Vaporization: 68.611 kJ/mol ; (14)Vapour Pressure: 0 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: N#C[C@@H](O)c2cc(Oc1ccccc1)ccc2; InChI: InChI=1/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H/t14-/m1/s1. (S)-3-Phenoxybenzaldehyde cyanohydrin has many suppliers, such as DS Chemphy, Inc.. The following is the toxicity data which has been tested.
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| Safety Data | |||||||||||||
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