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Dibenzo[b,e][1,4]dioxin,1,2,3,4,7-pentachloro- (39227-61-7)

Identification
Name:Dibenzo[b,e][1,4]dioxin,1,2,3,4,7-pentachloro-
Synonyms:1,2,3,4,7-PeCDD;1,2,3,4,7-Pentachlorodibenzo-p-dioxin; 1,2,3,4,7-Pentachlorodibenzodioxin; PCDD50
CAS:39227-61-7
Molecular Formula: C12H3 Cl5 O2
Molecular Weight: 356.40
InChI: InChI=1/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H
Molecular Structure: (C12H3Cl5O2) 1,2,3,4,7-PeCDD;1,2,3,4,7-Pentachlorodibenzo-p-dioxin; 1,2,3,4,7-Pentachlorodibenzodioxin; PCDD50
Properties
Transport:2811
Flash Point: 171.8°C
Boiling Point: 444.1°Cat760mmHg
Density:1.714g/cm3
Refractive index:1.661
Specification:

Descriptors computed from structure about 1,2,3,4,7-Pentachlorodibenzo-P-Dioxin(39227-61-7) are:
Canonical SMILES: C1=CC2=C(C=C1Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)
18-5/h1-3H
InChIKey: WRNGAZFESPEMCN-UHFFFAOYSA-N

Report:

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(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) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 ,1977,p. 41.(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 No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 15 ,1977,p. 41.(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) .

Packinggroup: I
Flash Point: 171.8°C
Safety Data