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

  • Name Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate
  • EINECS626-176-4
  • CAS No. 90866-33-4
  • Density1.187 g/cm3
  • PSA46.53000
  • LogP0.53930
  • SolubilityN/A
  • Melting Point93-95 °C
  • FormulaC6H11ClO3
  • Boiling Point263.4 °C at 760 mmHg
  • Molecular Weight166.605
  • Flash Point113.1 °C
  • Transport InformationN/A
  • AppearanceColorless to light yellow liquid
  • Safety26-36-36/39
  • Risk Codes41
  • Molecular Structure
    Molecular Structure of 90866-33-4 (Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data184

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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