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Name
4-BROMO-2.6-DICHLOROPHENOL
- EINECS 221-740-2
- CAS No. 3217-15-0
- Article Data23
- CAS DataBase
- Density 1.89 g/cm3
- Solubility
- Melting Point 64-65℃
- Formula C6H3BrCl2O
- Boiling Point 246.6 °C at 760 mmHg
- Molecular Weight 241.899
- Flash Point 102.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2,6-Dichloro-4-bromophenol;4-Bromo-2,6-dichlorophenol;NSC 74624;
- PSA 20.23000
- LogP 3.46150
4-Bromo-2,6-dichlorophenol Specification
The CAS register number of 4-Bromo-2,6-dichlorophenol is 3217-15-0. It also can be called as Phenol,4-bromo-2,6-dichloro- and the IUPAC name about this chemical is 4-bromo-2,6-dichlorophenol. The molecular formula about this chemical is C6H3BrCl2O and the molecular weight is 241.89742. It belongs to the Phenol & Thiophenol & Mercaptan. This chemical can be used as intermediates in organic synthesis.
Physical properties about 4-Bromo-2,6-dichlorophenol are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.47; (3)ACD/LogD (pH 7.4): 2.53; (4)ACD/BCF (pH 5.5): 249.16; (5)ACD/BCF (pH 7.4): 28.9; (6)ACD/KOC (pH 5.5): 1755.11; (7)ACD/KOC (pH 7.4): 203.55; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 45.61 cm3; (14)Molar Volume: 127.9 cm3; (15)Polarizability: 18.08x10-24cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Enthalpy of Vaporization: 50.33 kJ/mol; (18)Boiling Point: 246.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0171 mmHg at 25°C .
The 4-Bromo-2,6-dichlorophenol can be obtained by the bromination and chlorination of O-chlorophenol.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(O)c(Cl)cc(Br)c1
(2)InChI: InChI=1/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
(3)InChIKey: KGURSDWHGSLAPP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
(5)Std. InChIKey: KGURSDWHGSLAPP-UHFFFAOYSA-N
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