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Home >> Chemical Listing >> P >> 1,1,3,4,4-Pentachloro-1,3-Butadiene

1,1,3,4,4-Pentachloro-1,3-Butadiene
[CAS# 21400-41-9]

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Identification
Name 1,1,3,4,4-Pentachloro-1,3-Butadiene
Synonyms 1,3-Butadiene, Pentachloro-; Pentachlorobutadiene; 1,3-Butadiene, 1,1,2,4,4-Pentachloro-
Molecular Structure CAS#: 21400-41-9， 1,1,3,4,4-Pentachloro-1,3-Butadiene
Molecular Formula C4HCl5
Molecular Weight 226.32
CAS Registry Number 21400-41-9
SMILES C(Cl)(=C(Cl)Cl)C=C(Cl)Cl
InChI 1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h1H
InChIKey WVFBDVFCOCLEFM-UHFFFAOYSA-N
Properties
Density 1.639g/cm3 (Cal.)
Boiling point 209.855°C at 760 mmHg (Cal.)
Flash point 81.011°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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List of Reports Available for 1,1,3,4,4-Pentachloro-1,3-Butadiene
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