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(R)-4-Chloro-3-hydroxybutyric acid methyl ester

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Name

(R)-4-Chloro-3-hydroxybutyric acid methyl ester

EINECS N/A
CAS No. 88496-70-2 Density 1.232 g/cm3
PSA 46.53000 LogP 0.14920
Solubility N/A Melting Point N/A
Formula C5H9ClO3 Boiling Point 248.644 °C at 760 mmHg
Molecular Weight 152.578 Flash Point 104.176 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 88496-70-2 ((R)-4-CHLORO-3-HYDROXYBUTYRIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

Butanoicacid, 4-chloro-3-hydroxy-, methyl ester, (R)-;Methyl(3R)-4-chloro-3-hydroxybutyrate;Methyl (R)-4-chloro-3-hydroxybutanoate;

Article Data 13

(R)-4-Chloro-3-hydroxybutyric acid methyl ester Specification

The (R)-4-Chloro-3-hydroxybutyric acid methyl ester with the CAS number 88496-70-2 is also called Butanoic acid,4-chloro-3-hydroxy-, methyl ester, (3R)-. The systematic name is methyl (3R)-4-chloro-3-hydroxybutanoate. Its molecular formula is C5H9ClO3. This chemical belongs to the following product categories: (1)Chiral Building Blocks; (2)Simple Alcohols (Chiral); (3)Synthetic Organic Chemistry; (4)Chiral Compound.

The properties of the (R)-4-Chloro-3-hydroxybutyric acid methyl ester are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19; (8)ACD/KOC (pH 7.4): 19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 33.331 cm3; (15)Molar Volume: 123.819 cm3; (16)Polarizability: 13.213×10-24cm3; (17)Surface Tension: 38.47 dyne/cm; (18)Density: 1.232 g/cm3; (19)Flash Point: 104.176 °C; (20)Enthalpy of Vaporization: 56.449 kJ/mol; (21)Boiling Point: 248.644 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C[C@@H](O)CCl
(2)InChI: InChI=1/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/m1/s1
(3)InChIKey: WMRINGSAVOPXTE-SCSAIBSYBT

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