CAS No.29682-44-8,1-BROMO-2,4,5-TRICHLOROBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29682-44-8
Name:	1-BROMO-2,4,5-TRICHLOROBENZENE
Article Data:	2

Formula:	C₆H₂BrCl₃
Molecular Weight:	260.345
Synonyms:	Bromo-2,4,5-trichlorobenzene;
EINECS:	249-775-9
Density:	1.84 g/cm³
Boiling Point:	268.9 °C at 760 mmHg
Flash Point:	128.5 °C
PSA:	0.00000
LogP:	4.40930

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Specification

The Benzene,1-bromo-2,4,5-trichloro-, with the CAS registry number 29682-44-8, is also known as 1-Brom-2,4,5-trichlorbenzol. It belongs to the product categories of Bromine Compounds; Chlorine Compounds. Its EINECS registry number is 249-775-9. This chemical's molecular formula is C₆H₂BrCl₃ and molecular weight is 260.34308. Its IUPAC name is called 1-bromo-2,4,5-trichlorobenzene.

Physical properties of Benzene,1-bromo-2,4,5-trichloro-: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4.39; (3)ACD/LogD (pH 7.4): 4.39; (4)ACD/BCF (pH 5.5): 1273.99; (5)ACD/BCF (pH 7.4): 1273.99; (6)ACD/KOC (pH 5.5): 5811.35; (7)ACD/KOC (pH 7.4): 5811.35; (8)Index of Refraction: 1.603; (9)Molar Refractivity: 48.62 cm³; (10)Molar Volume: 141.4 cm³; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 1.84 g/cm³; (13)Flash Point: 128.5 °C; (14)Enthalpy of Vaporization: 48.66 kJ/mol; (15)Boiling Point: 268.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0124 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-4,5-dichlorobenzonitrile and 2-bromo-4,5-dichlorobenzoic acid. This reaction will need reagent H₂SO₄ and solvent acetic acid, H₂O. The reaction time is 16 hours. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=CC(=C1Cl)Br)Cl)Cl
(2)InChI: InChI=1S/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3)InChIKey: PHDKZIIWDGIUCG-UHFFFAOYSA-N