(S)-4-Chloro-3-hydroxybutyronitrile supplier

Name
(S)-4-Chloro-3-hydroxybutyronitrile
EINECS 1308068-626-2
CAS No. 127913-44-4
Article Data13
CAS DataBase
Density 1.229 g/cm³
Solubility
Melting Point
Formula C₄H₆ClNO
Boiling Point 286.2 °C at 760 mmHg
Molecular Weight 119.551
Flash Point 126.9 °C
Transport Information
Appearance colorless to light yellow liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Butanenitrile,4-chloro-3-hydroxy-, (S)-;(S)-(-)-4-Chloro-3-hydroxybutyronitrile;
PSA 44.02000
LogP 0.49978

(S)-4-Chloro-3-hydroxybutyronitrile Specification

The CAS register number of (S)-4-Chloro-3-hydroxybutyronitrile is 127913-44-4. It also can be called as Butanenitrile,4-chloro-3-hydroxy-, (3S)- and the systematic name about this chemical is (3R)-4-chloro-3-hydroxybutanenitrile. The molecular formula about this chemical is C₄H₆ClNO and the molecular weight is 119.55. It belongs to the Chiral.

Physical properties about (S)-4-Chloro-3-hydroxybutyronitrile are: (1)ACD/LogP: -0.22; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.05; (7)ACD/KOC (pH 7.4): 18.05; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 33.02Å²; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 26.83 cm³; (14)Molar Volume: 97.2 cm³; (15)Polarizability: 10.63x10^-24cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 60.96 kJ/mol; (18)Boiling Point: 286.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000304 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC[C@@H](O)CCl
(2)InChI: InChI=1/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m1/s1
(3)InChIKey: LHBPNZDUNCZWFL-SCSAIBSYBQ
(4)Std. InChI: InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m1/s1
(5)Std. InChIKey: LHBPNZDUNCZWFL-SCSAIBSYSA-N+

Product Name

(S)-4-Chloro-3-hydroxybutyronitrile

(S)-4-Chloro-3-hydroxybutyronitrile Specification

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