1-Phenyl-2-bromoethanol supplier

Name
1-Phenyl-2-bromoethanol
EINECS 219-365-4
CAS No. 199343-14-1
Density 1.503 g/cm³
Solubility
Melting Point
Formula C₈H₉BrO
Boiling Point 261.6 °C at 760 mmHg
Molecular Weight 201.06
Flash Point 135.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1-phenylethanol;1-Phenyl-2-bromoethanol;
PSA 20.23000
LogP 2.11490

1-Phenyl-2-bromoethanol Specification

The IUPAC name of 1-Phenyl-2-bromoethanol is 2-bromo-1-phenylethanol. With the CAS registry number 199343-14-1, it is also named as Ethyl,2-bromo-1-hydroxy-1-phenyl- (9CI). In addition, its molecular formula is C₈H₉BrO and its molecular weight is 201.06.

The other characteristics of 1-Phenyl-2-bromoethanol can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.14; (6)ACD/BCF (pH 7.4): 14.14; (7)ACD/KOC (pH 5.5): 231.85; (8)ACD/KOC (pH 7.4): 231.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 45.07 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.503 g/cm³; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 52.76 kJ/mol; (21)Boiling Point: 261.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00578 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrCC(O)c1ccccc1
(2)InChI: InChI=1/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
(3)InChIKey: DAHHEUQBMDBSLO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
(5)Std. InChIKey: DAHHEUQBMDBSLO-UHFFFAOYSA-N

Product Name

1-Phenyl-2-bromoethanol

1-Phenyl-2-bromoethanol Specification

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