CAS No.76792-22-8,(R)-(+)-2-BROMO-3-METHYLBUTYRIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76792-22-8
Name:	(R)-(+)-2-BROMO-3-METHYLBUTYRIC ACID
Article Data:	23

Formula:	C₅H₉BrO₂
Molecular Weight:	181.029
Synonyms:	(2R)-2-bromo-3-methyl-butanoic acid;Butanoic acid, 2-bromo-3-methyl-, (2R)-;
Density:	1.513 g/cm³
Melting Point:	35-40 °C(lit.)
Boiling Point:	230 °C at 760 mmHg
Flash Point:	88.9 °C
Hazard Symbols:	C
Risk Codes:	20/21/22-34
Safety:	26-27-28-36/37/39-45
PSA:	37.30000
LogP:	1.49050

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Specification

The (R)-(+)-2-Bromo-3-methylbutyric acid is an organic compound with the formula C₅H₉BrO₂. The IUPAC name of this chemical is (2R)-2-bromo-3-methylbutanoic acid. With the CAS registry number 76792-22-8, it is also named as butanoic acid, 2-bromo-3-methyl-, (2R)-. The product's categories are Chiral Compound; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks.

Physical properties about (R)-(+)-2-Bromo-3-methylbutyric acid are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): -0.74; (3)ACD/LogD (pH 7.4): -1.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 34.42 cm³; (14)Molar Volume: 119.6 cm³; (15)Polarizability: 13.64×10^-24cm³; (16)Surface Tension: 39.4 dyne/cm; (17)Density: 1.513 g/cm³; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 51.4 kJ/mol; (20)Boiling Point: 230 °C at 760 mmHg; (21)Vapour Pressure: 0.024 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

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-/m1/s1
(3)InChIKey: UEBARDWJXBGYEJ-SCSAIBSYBU
(4)Std. InChI: InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: UEBARDWJXBGYEJ-SCSAIBSYSA-N