2-Bromo-3-methylbutanoyl bromide supplier

Name
2-Bromo-3-methylbutanoyl bromide
EINECS 247-719-8
CAS No. 26464-05-1
Density 1.802 g/cm³
Solubility
Melting Point < 0°C
Formula C₅H₈Br₂O
Boiling Point 190.2 °C at 760 mmHg
Molecular Weight 243.926
Flash Point 61.5 °C
Transport Information UN3265
Appearance Clear colourless to slightly yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyrylbromide, 2-bromo-3-methyl- (6CI,8CI);2-Bromo-3-methylbutanoyl bromide;2-Bromo-3-methylbutyryl bromide;a-Bromoisovaleryl bromide;
PSA 17.07000
LogP 2.32740

2-Bromo-3-methylbutanoyl bromide Specification

The 2-Bromo-3-methylbutanoyl bromide with cas registry number of 26464-05-1, whose systematic name is 2-bromo-3-methylbutanoyl bromide. And it is also named butanoyl bromide, 2-bromo-3-methyl-. Its raw materials is 3-Methyl-1-butanol.

Physical properties about this chemical are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.68; (6)ACD/BCF (pH 7.4): 50.68; (7)ACD/KOC (pH 5.5): 577.98; (8)ACD/KOC (pH 7.4): 577.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 40.62 cm³; (15)Molar Volume: 135.3 cm³; (16)Polarizability: 16.1×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 42.64 kJ/mol; (19)Vapour Pressure: 0.548 mmHg at 25°C.

Uses of 2-Bromo-3-methylbutanoyl bromide: it can be used to produce 2-bromo-3-methyl-butyric acid ethyl ester. The reaction time is 1 hour(s) with reaction temperature of 60 ℃. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES:BrC(C(Br)=O)C(C)C;
(2)InChI:InChI=1/C5H8Br2O/c1-3(2)4(6)5(7)8/h3-4H,1-2H3;
(3)InChIKey:HFAUMPWMNPYULN-UHFFFAOYAW;
(4)Std. InChI:InChI=1S/C5H8Br2O/c1-3(2)4(6)5(7)8/h3-4H,1-2H3;
(5)Std. InChIKey:HFAUMPWMNPYULN-UHFFFAOYSA-N.

Product Name

2-Bromo-3-methylbutanoyl bromide

2-Bromo-3-methylbutanoyl bromide Specification

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