ChemicalBook--->CAS DataBase List--->133-49-3

133-49-3

133-49-3 Structure

133-49-3 Structure
IdentificationMore
[Name]

PENTACHLOROTHIOPHENOL
[CAS]

133-49-3
[Synonyms]

PENTACHLOROBENZENETHIOL
PENTACHLOROTHIOPHENOL
2,3,4,5,6-Pentachlorobenzenethiol
Akrochem Peptizer PTP
Benzenethiol, pentachloro-
Pctp
pentachloro-benzenethio
Pentachlorthiofenol
pentachlorthiofenol(czech)
Pentachlorthiophenol
Renacit 7
RPA 6
rpa6
USAF B-51
usafb-51
PENTACHLOROTHIOPHENOL 96%
PENTACHLOROTHIOPHENOL, 100MG, NEAT
PENTACHLORO THIOPHENOL 98+%
Pentachlorophenyl mercaptan
[EINECS(EC#)]

205-107-8
[Molecular Formula]

C6HCl5S
[MDL Number]

MFCD00059146
[Molecular Weight]

282.4
[MOL File]

133-49-3.mol
Chemical PropertiesBack Directory
[Melting point ]

223-227 °C(lit.)
[Boiling point ]

351.3±37.0 °C(Predicted)
[density ]

1.693 (estimate)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

3.14±0.50(Predicted)
[color ]

Off-White to Pale Beige
[Sensitive ]

Stench
[Stability:]

Air Sensitive
[InChI]

InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
[InChIKey]

LLMLGZUZTFMXSA-UHFFFAOYSA-N
[SMILES]

C1(S)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
[CAS DataBase Reference]

133-49-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentachloro benzenethiol(133-49-3)
[EPA Substance Registry System]

133-49-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Safety Statements ]

26
[RIDADR ]

UN 3335
[WGK Germany ]

3
[RTECS ]

DC1925000
[Hazard Note ]

Harmful/Stench
[TSCA ]

TSCA listed
[HS Code ]

29309090
[Hazardous Substances Data]

133-49-3(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 11,900 g/kg 28ZPAK -,168,72
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydrosulfide-->HEXACHLOROBENZENE-->2H-Pyran-2-one, 3,4,5-trichloro--->sodium pentachlorobenzenethiolate-->Bis(pentachlorophenyl) disulfide-->1,2-DIBENZOYLETHANE-->ISOBUTANE-->Chlorocyclohexane
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

Pentachlorothiophenol is plasticizer; is used in method for preparing outer rubber hose for high performance hydraulic oil pipe.
[Synthesis Reference(s)]

Synthetic Communications, 22, p. 3277, 1992 DOI: 10.1080/00397919208021143
[Safety Profile]

Poison by intraperitoneal route. Mildly toxic by ingestion. Severe eye irritant. When heated to decomposition it emits very toxic fumes of SOx and Clí.
[Purification Methods]

Crystallise from *benzene, toluene (m 243o) or AcOH (m 240o also 242-244o). [Beilstein 6 IV 1642.]
Spectrum DetailBack Directory
[Spectrum Detail]

PENTACHLOROTHIOPHENOL(133-49-3)MS
PENTACHLOROTHIOPHENOL(133-49-3)IR1
PENTACHLOROTHIOPHENOL(133-49-3)IR2
PENTACHLOROTHIOPHENOL(133-49-3)IR3
PENTACHLOROTHIOPHENOL(133-49-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

133-49-3(sigmaaldrich)
[TCI AMERICA]

Pentachlorobenzenethiol,>95.0%(T)(133-49-3)
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