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Ethyl (3S)-4-bromo-3-hydroxybutanoate

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Ethyl (3S)-4-bromo-3-hydroxybutanoate

CAS No. 95537-36-3 Density 1.485 g/cm3
PSA 46.53000 LogP 0.69540
Solubility N/A Melting Point N/A
Formula C6H11BrO3 Boiling Point 285.1 °C at 760 mmHg
Molecular Weight 211.056 Flash Point 126.2 °C
Transport Information N/A Appearance clear yellow liquid
Safety 39-26 Risk Codes 41
Molecular Structure Molecular Structure of 95537-36-3 ((S)-4-BROMO-3-HYDROXYBUTYRIC ACID ETHYL ETHER) Hazard Symbols IrritantXi

Butanoic acid,4-bromo-3-hydroxy-, ethyl ester, (S)-;(-)-Ethyl 4-bromo-3-hydroxybutyrate;(S)-4-Bromo-3-hydroxybutanoic acid ethyl ester;

Article Data 20

Ethyl (3S)-4-bromo-3-hydroxybutanoate Specification

The (S)-4-Bromo-3-hydroxybutanoic acid ethyl ester with the CAS number 95537-36-3 is also called Butanoic acid,4-bromo-3-hydroxy-, ethyl ester, (3S)-. Both the systematic name and IUPAC name are ethyl (3S)-4-bromo-3-hydroxybutanoate. Its molecular formula is C6H11BrO3. This chemical belongs to the following product categories: (1)Small molecule; (2)API intermediates; (3)Chiral Building Blocks; (4)Esters; (5)Organic Building Blocks.

The properties of the (S)-4-Bromo-3-hydroxybutanoic acid ethyl ester are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 62.12; (8)ACD/KOC (pH 7.4): 62.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 40.84 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 16.19×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 60.82 kJ/mol; (19)Vapour Pressure: 0.000329 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is risk of serious damage to the eyes. Therefore, you should take the following instructions. Firstly, you should wear eye/face protection. 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:
(2)InChI: InChI=1/C6H11BrO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

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