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4-(2-Bromoethyl)phenol

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Name

4-(2-Bromoethyl)phenol

EINECS 237-989-5
CAS No. 14140-15-9 Density 1.501 g/cm3
PSA 20.23000 LogP 2.32960
Solubility N/A Melting Point 88-92 °C(lit.)
Formula C8H9BrO Boiling Point 276.5 °C at 760 mmHg
Molecular Weight 201.063 Flash Point 121.1 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14140-15-9 (4-(2-Bromoethyl)phenol) Hazard Symbols IrritantXi
Synonyms

4-Hydroxy-1-(2-bromoethyl)benzene;4-Hydroxyphenethyl bromide;

Article Data 32

4-(2-Bromoethyl)phenol 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

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