Polychlorinated biphenyl (kanechlor 400) (12737-87-0),Polychlorinated biphenyl (kanechlor 400) (12737-87-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Kanechlor 400
CAS No.:
12737-87-0
Molecular Structure:
Molecular Weight:
0
Synonyms:
KC 400
Density:
1.441g/cm³
Boiling Point:
382.9°Cat760mmHg
Flash Point:
190°C
Safety Description:
Suspected carcinogen with experimental neoplastigenic data. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. Human systemic effects by ingestion: dermatitis, sweating. When heated to decomposition it emits toxic fumes of Cl⁻. See also POLYCHLORINATED BIPHENYLS. Details

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Chemistry

IUPAC Name: 1,3-dichloro-5-(3,5-dichlorophenyl)benzene
Empirical Formula: C₁₂H₆Cl₄
Molecular Weight: 291.988g/mol
XLogP3-AA: 6.1
H-Bond Donor: 0
H-Bond Acceptor: 0
Rotatable Bond Count: 1
Exact Mass: 291.919411
MonoIsotopic Mass: 289.922361
Topological Polar Surface Area: 0
Heavy Atom Count: 16
Formal Charge: 0
Complexity: 189
Index of Refraction: 1.612
Molar Refractivity: 70.42 cm³
Molar Volume: 202.5 cm³
Polarizability: 27.91×10^-24cm³
Surface Tension: 44.8 dyne/cm
Density: 1.441 g/cm³
Flash Point: 190 °C
Enthalpy of Vaporization: 60.67 kJ/mol
Boiling Point: 382.9 °C at 760 mmHg
Vapour Pressure: 1.01E-05 mmHg at 25°C
Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl
InChI: InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H
InChIKey: UTMWFJSRHLYRPY-UHFFFAOYSA-N
Structure of Polychlorinated biphenyl (kanechlor 400) (CAS NO.12737-87-0):

Toxicity Data With Reference

1.	orl-hmn TDLo:28 mg/kg:SKN	FKIZA4 Fukuoka Igaku Zasshi. 62 (1971),104.
2.	orl-rat LD50:1100 mg/kg	SKEZAP Shokuhin Eiseigaku Zasshi. Journal of the Food Hygiene Society of Japan. 13 (1972),359.
3.	orl-mus LD50:1600 mg/kg	SKEZAP Shokuhin Eiseigaku Zasshi. Journal of the Food Hygiene Society of Japan. 13 (1972),359.

Consensus Reports

IARC Cancer Review: Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1974,p. 261.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 18 ,1978,p. 43.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 18 ,1978,p. 43.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Safety Profile

Suspected carcinogen with experimental neoplastigenic data. Moderately toxic by ingestion. Experimental teratogenic and reproductive effects. Human systemic effects by ingestion: dermatitis, sweating. When heated to decomposition it emits toxic fumes of Cl⁻. See also POLYCHLORINATED BIPHENYLS.

Standards and Recommendations

NIOSH REL: TWA (Polychlorinated Biphenyls) 0.001 mg/m³

Specification

Polychlorinated biphenyl (kanechlor 400) , its cas register number is 12737-87-0. It also can be called KC400 ; Kanechlor 400 ; Kaneclor 400 . When heated to decomposition it emits toxic fumes of Cl−. Polychlorinated biphenyl (kanechlor 400)
(CAS NO.12737-87-0) is moderately toxic by ingestion.