Product Name

  • Name

    3-Fluorothiophenol

  • EINECS 219-876-2
  • CAS No. 2557-77-9
  • Article Data10
  • CAS DataBase
  • Density 1.206 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H5FS
  • Boiling Point 162.7 °C at 760 mmHg
  • Molecular Weight 128.17
  • Flash Point 56.5 °C
  • Transport Information
  • Appearance clear colorless to pale yellow liquid
  • Safety 26-36-36/37/39-27
  • Risk Codes R36/37/38   
  • Molecular Structure Molecular Structure of 2557-77-9 (3-Fluorothiophenol)
  • Hazard Symbols
  • Synonyms Benzenethiol,m-fluoro- (7CI,8CI);(3-Fluorophenyl)thiol;3-Fluorobenzenethiol;m-Fluorobenzenethiol;Benzenethiol, 3-fluoro-;
  • PSA 38.80000
  • LogP 2.11440

3-Fluorothiophenol Chemical Properties


IUPAC Name: 3-Fluorobenzenethiol
Canonical SMILES: C1=CC(=CC(=C1)S)F
InChI: InChI=1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey: ZDEUGINAVLMAET-UHFFFAOYSA-N
Molecular Weight: 128.167303 [g/mol]
Molecular Formula: C6H5FS
XLogP3: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 219-876-2 
Index of Refraction: 1.561
Molar Refractivity: 34.42 cm3
Molar Volume: 106.2 cm3
Surface Tension: 37.4 dyne/cm
Density: 1.206 g/cm3
Flash Point: 56.5 °C
Enthalpy of Vaporization: 38.28 kJ/mol
Boiling Point: 162.7 °C at 760 mmHg
Vapour Pressure: 2.8 mmHg at 25 °C
Sensitive: Stench
Appearance: clear colorless to pale yellow liquid
Product Categories of 3-Fluorothiophenol (CAS NO.2557-77-9): Fluorobenzene; Phenol & Thiophenol & Mercaptan; Miscellaneous

3-Fluorothiophenol Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39-27 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S27:Take off immediately all contaminated clothing.
RIDADR: 1993
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: 3
PackingGroup of 3-Fluorothiophenol (CAS NO.2557-77-9): III

3-Fluorothiophenol Specification

  3-Fluorothiophenol (CAS NO.2557-77-9), its Synonyms are m-Fluorobenzenethiol ; Benzenethiol,m-fluoro- (7CI,8CI) ; 3-Fluorobenzenethiol ; Benzenethiol, 3-fluoro- .

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