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14140-15-9

Basic Information
CAS No.: 14140-15-9
Name: 4-(2-Bromoethyl)phenol
Article Data: 32
Molecular Structure:
Molecular Structure of 14140-15-9 (4-(2-Bromoethyl)phenol)
Formula: C8H9BrO
Molecular Weight: 201.063
Synonyms: 4-Hydroxy-1-(2-bromoethyl)benzene;4-Hydroxyphenethyl bromide;
EINECS: 237-989-5
Density: 1.501 g/cm3
Melting Point: 88-92 °C(lit.)
Boiling Point: 276.5 °C at 760 mmHg
Flash Point: 121.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 20.23000
LogP: 2.32960
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Specification

The 4-(2-Bromoethyl)phenol, with the CAS registry number 14140-15-9, is also known as 4-Hydroxy-1-(2-bromoethyl)benzene. Its EINECS number is 237-989-5. It belongs to the product categories of Phenol & Thiophenol & Mercaptan. This chemical's molecular formula is C8H9BrO and molecular weight is 201.06.

Physical properties of 4-(2-Bromoethyl)phenol are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.14; (6)ACD/BCF (pH 7.4): 36.04; (7)ACD/KOC (pH 5.5): 453.79; (8)ACD/KOC (pH 7.4): 452.42; (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: 1.593; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 133.8 cm3; (16)Polarizability: 18×10-24 cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.501 g/cm3; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 53.58 kJ/mol; (21)Boiling Point: 276.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00283 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCc1ccc(O)cc1
(2)InChI: InChI=1/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
(3)InChIKey: DYYVTFCYVZEQDG-UHFFFAOYAO