CAS No.26782-75-2,(S)-(-)-2-Bromo-3-methylbutyric acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26782-75-2
Name:	(S)-(-)-2-Bromo-3-methylbutyric acid
Article Data:	23

Formula:	C₅H₉BrO₂
Molecular Weight:	181.029
Synonyms:	(S)-(-)-2-Bromo-3-methylbutyric acid;Butanoicacid, 2-bromo-3-methyl-, (S)-;Butyric acid, 2-bromo-3-methyl-, (S)- (8CI);(-)-2-Bromo-3-methylbutyric acid;(S)-2-Bromo-3-methylbutanoic acid;(S)-2-Bromo-3-methylbutyric acid;(S)-2-Bromoisovaleric acid;
Density:	1.513 g/cm³
Melting Point:	39-44 °C
Boiling Point:	229.999 °C at 760 mmHg
Flash Point:	88.917 °C
Hazard Symbols:	C
Risk Codes:	20/21/22-34
Safety:	26-27-28-36/37/39-45
Transport Information:	UN 3261
PSA:	37.30000
LogP:	1.49050

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Specification

This chemical is called Butanoic acid, 2-bromo-3-methyl-, (2S)-, and its CAS registry number is 26782-75-2. With the molecular formula of C₅H₉BrO₂, its molecular weight is 181.03. Additionally, its product category is Chiral Compound.

Other characteristics of the Butanoic acid, 2-bromo-3-methyl-, (2S)- can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 34.42 cm³; (15)Molar Volume: 119.6 cm³; (16)Polarizability: 13.64×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.513 g/cm³; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 51.4 kJ/mol; (21)Boiling Point: 230 °C at 760 mmHg; (22)Vapour Pressure: 0.024 mmHg at 25°C.

Production method of this chemical: The Butanoic acid, 2-bromo-3-methyl-, (2S)- could be obtained by the reactant of L-valine. This reaction needs the reagent of H₂O, and the solvent of NaNO₂, HBr. The yield is 69 %.

Uses of this chemical: The Butanoic acid, 2-bromo-3-methyl-, (2S)- could react with cesium thiobenzoate, and obtain the (R)-2-(benzoylthio)-3-methylbutanoic acid. This reaction needs the solvent of dimethylformamide. The yield is 94 %. In addition, this reaction should be taken for 20 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Br[C@H](C(=O)O)C(C)C
2.InChI: InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
3.InChIKey: UEBARDWJXBGYEJ-BYPYZUCNBF