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Cas Database |
| Name |
(S)-3-Phenoxybenzaldehyde cyanohydrin |
EINECS | N/A |
| CAS No. | 61826-76-4 | Density | 1.221 g/cm3 |
| PSA | 53.25000 | LogP | 3.03588 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H11NO2 | Boiling Point | 399.828 °C at 760 mmHg |
| Molecular Weight | 225.247 | Flash Point | 195.609 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 43 |
(S)-3-Phenoxybenzaldehyde cyanohydrin 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, |
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