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Pentachlorophenol
[CAS 2917-31-9]

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Identification
Name Pentachlorophenol
Synonyms 1-Hydroxy-2,3,4,5,6-pentachlorobenzene; 1-Hydroxypentachlorobenzene; 2,3,4,5,6-pentachlorophenol
Molecular Formula C6HCl5O
Molecular Weight 266.34
CAS Registry Number 2917-31-9
SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
InChI 1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey IZUPBVBPLAPZRR-UHFFFAOYSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Melting point 174°C (Expl.)
Boiling point 308.8889°C (Expl.)
309.499°C at 760 mmHg (Cal.)
Flash point 133.7±25.9°C (Cal.)
Refractive index 1.631 (Cal.)
solubility 0.001%
Safety Data
Safety Description Safety glasses, gloves, good ventilation.
IRRITANT
References
(1) Liangcheng Du and Lili Lou. PKS and NRPS release mechanisms, Nat. Prod. Rep., 2010, 27, 255.
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