1,1'-Biphenyl,2,3,4,4',5-pentachloro- supplier

Name
2,3,4,4',5-PENTACHLOROBIPHENYL
EINECS
CAS No. 74472-37-0
Article Data5
CAS DataBase
Density 1.522 g/cm³
Solubility 15.98ug/L(20 oC)
Melting Point 99°C
Formula C₁₂H₅Cl₅
Boiling Point 388.4 °C at 760 mmHg
Molecular Weight 326.437
Flash Point 190.7 °C
Transport Information
Appearance
Safety 60-61
Risk Codes 33-50/53
Molecular Structure
Hazard Symbols N
Synonyms 2,3,4,4',5-Pentachlorobiphenyl;2,3,4,5,4'-Pentachlorobiphenyl;4'-Chloro-2,3,4,5-tetrachlorobiphenyl;CB 114;PCB 114;2,3,4,4',5-pentachlorobiphenyl;1,1'-biphenyl, 2,3,4,4',5-pentachloro-;2,3,4,4',5-Pentachloro-1,1'-biphenyl;2,3,4,4',5-Pentachlorobiphenyl;1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene;
PSA 0.00000
LogP 6.62060

1,1'-Biphenyl,2,3,4,4',5-pentachloro- Specification

The 1,1'-Biphenyl,2,3,4,4',5-pentachloro-, with the CAS registry number 74472-37-0, has the systematic name of 2,3,4,4',5-pentachlorobiphenyl. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₅Cl₅.

The characteristics of 1,1'-Biphenyl,2,3,4,4',5-pentachloro- are as followings: (1)ACD/LogP: 6.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.3; (4)ACD/LogD (pH 7.4): 6.3; (5)ACD/BCF (pH 5.5): 36319.44; (6)ACD/BCF (pH 7.4): 36319.44; (7)ACD/KOC (pH 5.5): 63933.91; (8)ACD/KOC (pH 7.4): 63933.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 75.31 cm³; (15)Molar Volume: 214.4 cm³; (16)Polarizability: 29.85×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.522 g/cm³; (19)Flash Point: 190.7 °C; (20)Enthalpy of Vaporization: 61.26 kJ/mol; (21)Boiling Point: 388.4 °C at 760 mmHg; (22)Vapour Pressure: 6.9E-06 mmHg at 25°C.

Preparation of 1,1'-Biphenyl,2,3,4,4',5-pentachloro-: This chemical can be prepared by 1,4,5,6-tetrachloro-7-(4-chlorophenyl)bicyclo[2.2.2]octa-5,7-diene-2,3-dione. The reaction will need menstruum cyclohexane. The reaction time is 24 hours with irradiation, and the yield is about 69.4%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)c2ccc(Cl)cc2
(2)InChI: InChI=1/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
(3)InChIKey: SXZSFWHOSHAKMN-UHFFFAOYAF

Product Name

2,3,4,4',5-PENTACHLOROBIPHENYL

1,1'-Biphenyl,2,3,4,4',5-pentachloro- Specification

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