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CAS No.: | 25574-11-2 |
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Name: | 3-(4-BROMO-PHENYL)-PROPAN-1-OL |
Article Data: | 57 |
Molecular Structure: | |
Formula: | C9H11BrO |
Molecular Weight: | 215.09 |
Synonyms: | 1-Propanol,3-(p-bromophenyl)- (6CI,7CI,8CI);3-(4-Bromophenyl)-1-propanol; |
EINECS: | 634-788-8 |
Density: | 1.411 g/cm3 |
Boiling Point: | 299.932 °C at 760 mmHg |
Flash Point: | 135.194 °C |
PSA: | 20.23000 |
LogP: | 2.37400 |
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The 3-(4-Bromophenyl)propan-1-ol with the CAS number 25574-11-2 is also called Benzenepropanol,4-bromo-. Its molecular formula is C9H11BrO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 3-(4-Bromophenyl)propan-1-ol are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 49.66 cm3; (15)Molar Volume: 152.448 cm3; (16)Polarizability: 19.687×10-24cm3; (17)Surface Tension: 43.22 dyne/cm; (18)Enthalpy of Vaporization: 57.019 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CCCO
(2)InChI: InChI=1/C9H11BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
(3)InChIKey: WODKXGCVVOOEIJ-UHFFFAOYAY