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CAS No.: | 26074-53-3 |
---|---|
Name: | 2-BROMO-2-ETHYLBUTYRYL BROMIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H10Br2O |
Molecular Weight: | 257.953 |
Synonyms: | Butyrylbromide, 2-bromo-2-ethyl- (6CI,8CI); |
EINECS: | 247-442-2 |
Density: | 1.707 g/cm3 |
Melting Point: | < 0oC |
Boiling Point: | 210.9 °C at 760 mmHg |
Flash Point: | 60.7 °C |
Appearance: | Clear colourless to slightly yellow liquid |
Hazard Symbols: | C |
Risk Codes: | R 20/21/22 34 41 |
Transport Information: | UN 3265 |
PSA: | 17.07000 |
LogP: | 2.86160 |
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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