Butanoyl bromide,2-bromo-2-ethyl- supplier

Name
2-BROMO-2-ETHYLBUTYRYL BROMIDE
EINECS 247-442-2
CAS No. 26074-53-3
Article Data5
CAS DataBase
Density 1.707 g/cm³
Solubility
Melting Point < 0oC
Formula C₆H₁₀Br₂O
Boiling Point 210.9 °C at 760 mmHg
Molecular Weight 257.953
Flash Point 60.7 °C
Transport Information UN 3265
Appearance Clear colourless to slightly yellow liquid
Safety
Risk Codes R 20/21/22 34 41
Molecular Structure
Hazard Symbols C
Synonyms Butyrylbromide, 2-bromo-2-ethyl- (6CI,8CI);
PSA 17.07000
LogP 2.86160

Butanoyl bromide,2-bromo-2-ethyl- Specification

The Butanoyl bromide,2-bromo-2-ethyl-, with the CAS registry number 26074-53-3, is also known as α-Bromo-α-ethylbutyryl bromide. Its EINECS registry number is 247-442-2. This chemical's molecular formula is C₆H₁₀Br₂O and molecular weight is 257.95. What's more, its IUPAC name is 2-Bromo-2-ethylbutanoyl bromide.

Physical properties about Butanoyl bromide,2-bromo-2-ethyl are: (1)ACD/LogP: 3.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.9; (6)ACD/BCF (pH 7.4): 128.9; (7)ACD/KOC (pH 5.5): 1127.5; (8)ACD/KOC (pH 7.4): 1127.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 45.3 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 17.96×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.707 g/cm³; (19)Flash Point: 60.7 °C; (20)Enthalpy of Vaporization: 44.72 kJ/mol; (21)Boiling Point: 210.9 °C at 760 mmHg; (22)Vapour Pressure: 0.188 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C(Br)=O)(CC)CC
(2) InChI: InChI=1/C6H10Br2O/c1-3-6(8,4-2)5(7)9/h3-4H2,1-2H3
(3) InChIKey: LUTZMJZHVATZQM-UHFFFAOYAW

Product Name

2-BROMO-2-ETHYLBUTYRYL BROMIDE

Butanoyl bromide,2-bromo-2-ethyl- Specification

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