Name: BROMOCHLOROPHEN
SKU: 15435-29-7

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Basic Information

Molecular Structure:
CAS No.:	15435-29-7
Name:	BROMOCHLOROPHEN
Article Data:	3

Formula:	C₁₃H₈Br₂Cl₂O₂
Molecular Weight:	426.919
Synonyms:	2,2'-Dihydroxy-3,3'-dibromo-5,5'-dichlorodiphenylmethane;2,2'-Methylenebis(4-chloro-6-bromophenol);2,2'-Methylenebis(6-bromo-4-chlorophenol);3,3'-Dibromo-5,5'-dichloro-2,2'-dihydroxydiphenylmethane;Bromchlorophene;Bromochlorophene;Brophen;
EINECS:	239-446-8
Density:	1.923 g/cm³
Melting Point:	189 °C
Boiling Point:	452.3 °C at 760 mmHg
Flash Point:	227.4 °C
PSA:	40.46000
LogP:	5.52040

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Specification

The Phenol,2,2'-methylenebis[6-bromo-4-chloro-, with the CAS registry number 15435-29-7, is also known as 2,2'-Methylenebis(6-bromo-4-chlorophenol). It belongs to the product category of Pharmacetical. Its EINECS registry number is 239-446-8. This chemical's molecular formula is C₁₃H₈Br₂Cl₂O₂ and molecular weight is 426.91542. Its IUPAC name is called 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol.

Physical properties of Phenol,2,2'-methylenebis[6-bromo-4-chloro-: (1)ACD/LogP: 6.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.49; (4)ACD/LogD (pH 7.4): 6.24; (5)ACD/BCF (pH 5.5): 50729.91; (6)ACD/BCF (pH 7.4): 28527.99; (7)ACD/KOC (pH 5.5): 81008.7; (8)ACD/KOC (pH 7.4): 45555.29; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 84.5 cm³; (14)Molar Volume: 221.9 cm³; (15)Surface Tension: 61.2 dyne/cm; (16)Density: 1.923 g/cm³; (17)Flash Point: 227.4 °C; (18)Enthalpy of Vaporization: 73.89 kJ/mol; (19)Boiling Point: 452.3 °C at 760 mmHg; (20)Vapour Pressure: 8.45E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Br)O)CC2=CC(=CC(=C2O)Br)Cl)Cl
(2)InChI: InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2
(3)InChIKey: TYBHZVUFOINFDV-UHFFFAOYSA-N