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CAS No.: | 6089-17-4 |
---|---|
Name: | 4-BROMO-1-BUTANOL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H9BrO |
Molecular Weight: | 153.019 |
Synonyms: | 1-Bromo-3-butanol;4-Bromobutan-2-ol; |
EINECS: | 251-355-5 |
Density: | 1.449 g/cm3 |
Boiling Point: | 184.559 °C at 760 mmHg |
Flash Point: | 85.508 °C |
Hazard Symbols: | F,Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 26 |
PSA: | 20.23000 |
LogP: | 1.15380 |
The 2-Butanol, 4-bromo-, with the CAS registry number 6089-17-4, is also known as 1-Bromo-3-butanol. This chemical's molecular formula is C4H9BrO and molecular weight is 153.02. What's more, its systematic name is called 4-Bromo-2-butanol.
Physical properties about 2-Butanol, 4-bromo- are: (1)ACD/LogP: 0.877; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.73; (6) ACD/BCF (pH 7.4): 2.73; (7)ACD/KOC (pH 5.5): 71.49; (8)ACD/KOC (pH 7.4): 71.49; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 29.806 cm3; (15)Molar Volume: 105.627 cm3; (16)Polarizability: 11.816×10-24cm3; (17)Surface Tension: 35.344 dyne/cm; (18)Density: 1.449 g/cm3; (19)Flash Point: 85.508 °C; (20)Enthalpy of Vaporization: 48.978 kJ/mol; (21)Boiling Point: 184.559 °C at 760 mmHg; (22)Vapour Pressure: 0.208 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(O)CCBr
(2) InChI: InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3
(3) InChIKey: KHZTWUIVCAAVDC-UHFFFAOYSA-N