ChemicalBook--->CAS DataBase List--->5858-17-3

5858-17-3

5858-17-3 Structure

5858-17-3 Structure
IdentificationMore
[Name]

3,4-DICHLOROTHIOPHENOL
[CAS]

5858-17-3
[Synonyms]

3,4-DICHLOROBENZENETHIOL
3,4-DICHLOROPHENYLMERCAPTAN
3,4-DICHLOROTHIOPHENOL
3,4-Dichlorothiophenol,97%
3,4-Dichloro
3,4-Dichlorothiophenol 98%
3,4-DICHLOROTHIOPHENOL/3,4-DICHLOROBENZENETHIOL
3,4-Dichlorobenzene-1-thiol
[EINECS(EC#)]

227-485-3
[Molecular Formula]

C6H4Cl2S
[MDL Number]

MFCD00004840
[Molecular Weight]

179.07
[MOL File]

5858-17-3.mol
Chemical PropertiesBack Directory
[Melting point ]

21 °C
[Boiling point ]

119-120 °C10 mm Hg(lit.)
[density ]

1.407 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.623(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

Liquid or Low Melting Solid
[pka]

5.35±0.10(Predicted)
[color ]

Cloudy colorless to yellow or white to yellow
[Specific Gravity]

1.407
[FreezingPoint ]

19.0 to 22.0 ℃
[Sensitive ]

Stench
[BRN ]

2042869
[InChI]

1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
[InChIKey]

HNJZDPKMMZXSKT-UHFFFAOYSA-N
[SMILES]

Sc1ccc(Cl)c(Cl)c1
[CAS DataBase Reference]

5858-17-3(CAS DataBase Reference)
[Storage Precautions]

Air sensitive
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Toxic/Stench
[HazardClass ]

IRRITANT, STENCH
[PackingGroup ]

II
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

3,4-Dichlorobenzenethiol was employed as probe for detection of methylating agent production during exposure of N-nitrosodimethylamine to rat liver S-9 preparations. It was used as trapping agent for electrophiles produced in vitro or in vivo. It was used to develop surface-enhanced Raman sensor for detection of biowarfare agent and glucose.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DICHLOROTHIOPHENOL(5858-17-3)MS
3,4-DICHLOROTHIOPHENOL(5858-17-3)1HNMR
3,4-DICHLOROTHIOPHENOL(5858-17-3)13CNMR
3,4-DICHLOROTHIOPHENOL(5858-17-3)IR1
3,4-DICHLOROTHIOPHENOL(5858-17-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,4-Dichlorothiophenol, 97%(5858-17-3)
[Sigma Aldrich]

5858-17-3(sigmaaldrich)
[TCI AMERICA]

3,4-Dichlorobenzenethiol,>97.0%(GC)(T)(5858-17-3)
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