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(R)-4-Chloro-3-hydroxybutyronitrile

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Name

(R)-4-Chloro-3-hydroxybutyronitrile

EINECS 624-620-1
CAS No. 84367-31-7 Density 1.229 g/cm3
PSA 44.02000 LogP 0.49978
Solubility N/A Melting Point N/A
Formula C4H6ClNO Boiling Point 286.2 °C at 760 mmHg
Molecular Weight 119.551 Flash Point 126.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 84367-31-7 ((R)-4-Chloro-3-hydroxybutyronitrile) Hazard Symbols IrritantXi
Synonyms

Butanenitrile,4-chloro-3-hydroxy-, (R)-;(R)-(+)-4-Chloro-3-hydroxybutyronitrile;

Article Data 4

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

This chemical is called Butanenitrile, 4-chloro-3-hydroxy-, (3R)-, and its systematic name is (3R)-4-chloro-3-hydroxybutanenitrile. With the molecular formula of C4H6ClNO, its product categories are Chiral Building Blocks; Cyanides / Nitriles; Organic Building Blocks. The CAS registry number of this chemical is 84367-31-7. In addition, this chemical should be sealed in the cool and dry place, away from oxides, acid and alkali.

Other characteristics of the Butanenitrile, 4-chloro-3-hydroxy-, (3R)- can be summarised as followings: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.05; (8)ACD/KOC (pH 7.4): 18.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 26.83 cm3; (15)Molar Volume: 97.2 cm3; (16)Polarizability: 10.63×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.229 g/cm3; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 60.96 kJ/mol; (21)Boiling Point: 286.2 °C at 760 mmHg; (22)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. You should wear suitable protective clothing if you use it. In case of contacting 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

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