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Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate

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Name

Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate

EINECS 626-176-4
CAS No. 90866-33-4 Density 1.187 g/cm3
PSA 46.53000 LogP 0.53930
Solubility N/A Melting Point 93-95 °C
Formula C6H11ClO3 Boiling Point 263.4 °C at 760 mmHg
Molecular Weight 166.605 Flash Point 113.1 °C
Transport Information N/A Appearance Colorless to light yellow liquid
Safety 26-36-36/39 Risk Codes 41
Molecular Structure Molecular Structure of 90866-33-4 (Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate) Hazard Symbols IrritantXi
Synonyms

Butanoicacid, 4-chloro-3-hydroxy-, ethyl ester, (R)-;(+)-Ethyl 4-chloro-3-hydroxybutyrate;(R)-4-Chloro-3-hydroxybutanoic acid ethyl ester;(R)-Ethyl4-chloro-3-hydroxybutanoate;Ethyl (R)-4-chloro-3-hydroxybutyrate;Ethyl (R)-g-chloro-b-hydroxybutyrate;(R)-(+)-ethyl-4-chloro 3-hydroxybutanoate;Ethyl (R)-4-Chloro-3-Hydroxybutanoate;methyl 3R-4-chloro-3-hydroxybutanoate;R(+)-Ethyl-4-Chloro-3-Hydroxybutanoate;

Article Data 184

Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate Specification

The Ethyl (r)-4-chloro-3-hydroxybutanoate is an organic compound with the formula C6H11ClO3. The IUPAC name of this chemical is ethyl (3R)-4-chloro-3-hydroxybutanoate. With the CAS registry number 90866-33-4, it is also named as (R)-(+)-4-Chloro-3-hydroxybutyric acid ethyl ester. The product's categories are Chiral; Organic Acids; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Chiral Compound; Chiral Building Blocks; Esters; Organic Building Blocks. Besides, it is a colorless to light yellow liquid, which should be stored in a closed cool and dry palce. It is widely used in organic synthesis.

Physical properties about Ethyl (r)-4-chloro-3-hydroxybutanoate are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.05; (5)ACD/BCF (pH 7.4): 1.05; (6)ACD/KOC (pH 5.5): 36.08; (7)ACD/KOC (pH 7.4): 36.08; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 37.96 cm3; (14)Molar Volume: 140.3 cm3; (15)Polarizability: 15.04×10-24cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 1.187 g/cm3; (18)Flash Point: 113.1 °C; (19)Enthalpy of Vaporization: 58.21 kJ/mol; (20)Boiling Point: 263.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00145 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is risk of serious damage to eyes. When you are using it, wear suitable protective clothing and eye/face protection. 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: ClC[C@H](O)CC(=O)OCC
(2)InChI: InChI=1/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1
(3)InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDBN
(4)Std. InChI: InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1
(5)Std. InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

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