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

Name
(S)-4-BROMO-3-HYDROXYBUTYRIC ACID ETHYL ETHER
EINECS
CAS No. 95537-36-3
Article Data20
CAS DataBase
Density 1.485 g/cm³
Solubility
Melting Point
Formula C₆H₁₁BrO₃
Boiling Point 285.1 °C at 760 mmHg
Molecular Weight 211.056
Flash Point 126.2 °C
Transport Information
Appearance clear yellow liquid
Safety 39-26
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms Butanoic acid,4-bromo-3-hydroxy-, ethyl ester, (S)-;(-)-Ethyl 4-bromo-3-hydroxybutyrate;(S)-4-Bromo-3-hydroxybutanoic acid ethyl ester;
PSA 46.53000
LogP 0.69540

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:
(1)SMILES: BrC[C@@H](O)CC(=O)OCC
(2)InChI: InChI=1/C6H11BrO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1
(3)InChIKey: AIZRKZQHJNWBEI-YFKPBYRVBO

Product Name

(S)-4-BROMO-3-HYDROXYBUTYRIC ACID ETHYL ETHER

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

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