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39801-14-4

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Basic Information
CAS No.: 39801-14-4
Name: photomirex
Article Data: 3
Molecular Structure:
Molecular Structure of 39801-14-4 (photomirex)
Formula: C10H Cl11
Molecular Weight: 511.101
Synonyms: 8-Hydromirex;8-Monohydromirex; Photomirex
Density: 2.21g/cm3
Boiling Point: 424.5°Cat760mmHg
Flash Point: 207.5°C
Safety: Poison by ingestion. Experimental teratogenic effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. See also MIREX.
PSA: 0.00000
LogP: 5.86160
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Chemistry

Product Name: Photomirex (CAS NO.39801-14-4)


Molecular Formula: C10HCl11
Molecular Weight: 511.06g/mol
Mol File: 39801-14-4.mol
Boiling point: 424.5 °C at 760 mmHg
Flash Point: 207.5 °C
Density: 2.21 g/cm3
Surface Tension: 73.6 dyne/cm
Enthalpy of Vaporization: 65.28 kJ/mol
Vapour Pressure: 5.07E-07 mmHg at 25°C
XLogP3-AA: 5
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Photomirex (CAS NO.39801-14-4):
  Canonical SMILES: C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl
  InChI: InChI=1S/C10HCl11/c11-2-1-3(12)5(14)4(1,13)10(20,21)7(2,16)8(5,17)6(2,15)9(3,18)19/h1H 
  InChIKey: KFDNXHKRTQRVGV-UHFFFAOYSA-N
Product Categories: erocycles; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals

Toxicity Data With Reference

1.    

spm-mus-ipr 9 mg/kg/5D-C

     ENMUDM    Environmental Mutagenesis. 8 (Suppl 6)(1986),39.
2.    

orl-rat LD50:200 mg/kg

     JAFCAU    Journal of Agricultural and Food Chemistry. 26 (1978),388.

Safety Profile

Poison by ingestion. Experimental teratogenic effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. See also MIREX.
Safety Information of Photomirex (CAS NO.39801-14-4):
RIDADR: 2761
HazardClass: 6.1(b)
PackingGroup: III

Specification

 Photomirex , its CAS NO. is 39801-14-4, the synonyms are 1,2,3,4,5,5,6,7,9,10,10-Undecachloropentacyclo(5.3.0.0(sup
2,6).0(sup 3,9).0(sup 4,8))decane ; 8-Monohydro mirex ; Hydromirex .