4-Bromo-3-chlorophenol supplier

Name
4-BROMO-3-CHLOROPHENOL
EINECS
CAS No. 13631-21-5
Article Data5
CAS DataBase
Density 1.788 g/cm³
Solubility Slightly soluble in water.
Melting Point 64-66°C
Formula C₆H₄BrClO
Boiling Point 267.495 °C at 760 mmHg
Molecular Weight 207.454
Flash Point 115.577 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 3-Chloro-4-bromophenol;
PSA 20.23000
LogP 2.80810

4-Bromo-3-chlorophenol Specification

The 4-Bromo-3-chlorophenol, with the CAS registry number 13631-21-5, is also called phenol, 4-bromo-3-chloro-. It belongs to the following product categories: Bromine Compounds; Chlorine Compounds; Phenols. And the molecular formula of the chemical is C₆H₄BrClO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 195.05; (6)ACD/BCF (pH 7.4): 178.69; (7)ACD/KOC (pH 5.5): 1516.16; (8)ACD/KOC (pH 7.4): 1389.01; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 40.71 cm³; (15)Molar Volume: 115.9 cm³; (16)Polarizability: 16.14×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.788 g/cm³; (19)Flash Point: 115.6 °C; (20)Enthalpy of Vaporization: 52.59 kJ/mol; (21)Boiling Point: 267.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00493 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(O)ccc1Br
(2)InChI: InChI=1/C6H4BrClO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
(3)InChIKey: FQEYHIPPYOSPLF-UHFFFAOYAI

Product Name

4-BROMO-3-CHLOROPHENOL

4-Bromo-3-chlorophenol Specification

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