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61826-76-4

Basic Information
CAS No.: 61826-76-4
Name: (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN
Article Data: 43
Molecular Structure:
Molecular Structure of 61826-76-4 ((S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN)
Formula: C14H11NO2
Molecular Weight: 225.247
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;
Density: 1.221 g/cm3
Boiling Point: 399.828 °C at 760 mmHg
Flash Point: 195.609 °C
PSA: 53.25000
LogP: 3.03588
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    High quality (S)-3-Phenoxy-Mandelonitrile

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  • (S)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile61826-76-4

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    61826-76-4

    (S)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile61826-76-4

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  • (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN

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    61826-76-4

    (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN

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  • (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN

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    61826-76-4

    (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN

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  • Benzeneacetonitrile, a-hydroxy-3-phenoxy-, (aS)-

  • Casno:

    61826-76-4

    Benzeneacetonitrile, a-hydroxy-3-phenoxy-, (aS)-

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  • (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN,61826-76-4

  • Casno:

    61826-76-4

    (S)-3-PHENOXYBENZALDEHYDE CYANOHYDRIN,61826-76-4

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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.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0540529,