Product Name

  • Name

    3,4-DICHLOROTHIOPHENOL

  • EINECS 227-485-3
  • CAS No. 5858-17-3
  • Article Data16
  • CAS DataBase
  • Density 1.421 g/cm3
  • Solubility
  • Melting Point 21 °C
  • Formula C6H4Cl2S
  • Boiling Point 255.6 ºC at 760 mmHg
  • Molecular Weight 179.07
  • Flash Point 113 ºC
  • Transport Information UN 2810
  • Appearance Colorless Liquid
  • Safety 26-37/39 36
  • Risk Codes R36/37/38   
  • Molecular Structure Molecular Structure of 5858-17-3 (3,4-DICHLOROTHIOPHENOL)
  • Hazard Symbols ToxicT
  • Synonyms 3,4-Dichlorobenzenethiol;3,4-Dichlorophenyl mercaptan;3,4-Dichlorothiophenol;
  • PSA 38.80000
  • LogP 3.28210

3,4-Dichlorothiophenol Chemical Properties


IUPAC Name: 3,4-Dichlorobenzenethiol
Canonical SMILES: C1=CC(=C(C=C1S)Cl)Cl
InChI: InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: HNJZDPKMMZXSKT-UHFFFAOYSA-N
Molecular Weight: 179.06696 [g/mol]
Molecular Formula: C6H4Cl2S
XLogP3: 3.5 
EINECS: 227-485-3 
Sensitive: Stench 
Index of Refraction: 1.619
Molar Refractivity: 44.21 cm3
Molar Volume: 125.9 cm3
Surface Tension: 45.7 dyne/cm
Density: 1.421 g/cm3
Flash Point: 99.2 °C
Enthalpy of Vaporization: 47.32 kJ/mol
Boiling Point: 255.6 °C at 760 mmHg
Vapour Pressure: 0.0259 mmHg at 25 °C
Product Categories of Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3): Phenol&Thiophenol & Mercaptan; Phenoles and thiophenoles; Organic Building Blocks; Sulfur Compounds; Thiols / Mercaptans

3,4-Dichlorothiophenol Safety Profile

Hazard Codes: IrritantXi,ToxicT
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
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
PackingGroup of Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3): II

3,4-Dichlorothiophenol Specification

  Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3), its Synonyms are 3,4-Dichlorobenzenethiol ; 3,4-Dichlorophenyl mercaptan .

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