4-Chloro-3-hydroxy-butyricacidmethylester supplier

Name
4-Chloro-3-hydroxy-butyricacidmethylester
EINECS
CAS No. 10488-68-3
Article Data1
CAS DataBase
Density 1.232 g/cm³
Solubility
Melting Point
Formula C₅H₉ClO₃
Boiling Point 248.6 °C at 760 mmHg
Molecular Weight 152.578
Flash Point 104.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-chloro-3-hydroxybutyrate;Methyl 4-chloro-3-hydroxybutanoate;Methyl g-chloro-b-hydroxybutyrate;4-Chloro-3-hydroxybutyricacid methyl ester;Butyricacid, 4-chloro-3-hydroxy-, methyl ester (7CI,8CI);
PSA 46.53000
LogP 0.14920

4-Chloro-3-hydroxy-butyricacidmethylester Specification

The Butanoic acid,4-chloro-3-hydroxy-, methyl ester is an organic compound with the formula C₅H₉ClO₃. The systematic name of this chemical is methyl 4-chloro-3-hydroxybutanoate. With the CAS registry number 10488-68-3, it is also named as 4-Chloro-3-hydroxy-butycir acid methyl ester. In addition, the molecular weight is 152.57616.

The other characteristics of Butanoic acid,4-chloro-3-hydroxy-, methyl ester can be summarized as: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.54; (8)ACD/KOC (pH 7.4): 18.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 33.33 cm³; (15)Molar Volume: 123.8 cm³; (16)Polarizability: 13.21×10^-24 cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 56.45 kJ/mol; (21)Boiling Point: 248.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00387 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)CC(O)CCl
2. InChI:InChI=1/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3
3. InChIKey:WMRINGSAVOPXTE-UHFFFAOYAX

Product Name

4-Chloro-3-hydroxy-butyricacidmethylester

4-Chloro-3-hydroxy-butyricacidmethylester Specification

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