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CAS No.: | 13659-24-0 |
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Name: | 3-BROMO-4-CHLOROPHENOL |
Article Data: | 7 |
Molecular Structure: | |
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Formula: | C6H4BrClO |
Molecular Weight: | 207.454 |
Synonyms: | 3-Bromo-4-chlorophenol; |
Density: | 1.788g/cm3 |
Melting Point: | 57 °C |
Boiling Point: | 273.095 °C at 760 mmHg |
Flash Point: | 118.964 °C |
Hazard Symbols: |
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Risk Codes: | Xi:; "> |
PSA: | 20.23000 |
LogP: | 2.80810 |
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The Phenol,3-bromo-4-chloro-, with CAS registry number 13659-24-0, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenol & Thiophenol & Mercaptan; (3)Bromine Compounds; (4)Chlorine Compounds; (5)Phenols. It has the systematic name of 3-bromo-4-chlorophenol. And the chemical formula of this chemical is C6H4BrClO.
Physical properties of Phenol,3-bromo-4-chloro-: (1)ACD/LogP: 3.16; (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): 261; (6)ACD/BCF (pH 7.4): 245; (7)ACD/KOC (pH 5.5): 1870; (8)ACD/KOC (pH 7.4): 1750; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 40.72 cm3; (15)Molar Volume: 115.999 cm3; (16)Polarizability: 16.143×10-24cm3; (17)Surface Tension: 50.126 dyne/cm; (18)Density: 1.788 g/cm3; (19)Flash Point: 118.964 °C; (20)Enthalpy of Vaporization: 53.2 kJ/mol; (21)Boiling Point: 273.095 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(O)cc1Br
(2)InChI: InChI=1/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
(3)InChIKey: JLFFHIKASCUQRL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
(5)Std. InChIKey: JLFFHIKASCUQRL-UHFFFAOYSA-N