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1,4-Benzenedimethanethiol

  • Name 1,4-Benzenedimethanethiol
  • EINECS203-269-4
  • CAS No. 105-09-9
  • Density1.134 g/cm3
  • PSA77.60000
  • LogP2.54620
  • SolubilityN/A
  • Melting Point45-46 °C(lit.)
  • FormulaC8H10S2
  • Boiling Point292.127 °C at 760 mmHg
  • Molecular Weight170.299
  • Flash Point118.827 °C
  • Transport InformationN/A
  • Appearancewhite to pale yellow powder
  • Safety26-37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 105-09-9 (1,4-Benzenedimethanethiol)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data18

1,4-Benzenedimethanethiol Chemical Properties


IUPAC Name: [4-(Sulfanylmethyl)phenyl]methanethiol
Canonical SMILES: C1=CC(=CC=C1CS)CS
InChI: InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey: IYPNRTQAOXLCQW-UHFFFAOYSA-N
Molecular Weight: 170.295 [g/mol]
Molecular Formula: C8H10S2
XLogP3-AA: 2.1
EINECS: 203-269-4
Melting Point: 45-46 °C(lit.)
Index of Refraction: 1.607
Molar Refractivity: 51.87 cm3
Molar Volume: 150.1 cm3
Surface Tension: 43 dyne/cm
Density: 1.134 g/cm3
Flash Point: 118.8 °C
Enthalpy of Vaporization: 51.03 kJ/mol
Boiling Point: 292.1 °C at 760 mmHg
Vapour Pressure: 0.00327 mmHg at 25 °C
Product Categories of 1,4-Benzenedimethanethiol (CAS NO.105-09-9): Phenol & Thiophenol & Mercaptan; Sulfur; Phenoles and thiophenoles; Self Assembly & Contact Printing; Self-Assembly Materials; Sulfur Compounds; Thiols / Mercaptans; ThiolsOrganic Building Blocks

1,4-Benzenedimethanethiol Safety Profile

Hazard Codes: IrritantXi
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.
WGK Germany of 1,4-Benzenedimethanethiol (CAS NO.105-09-9): 3

1,4-Benzenedimethanethiol Specification

  1,4-Benzenedimethanethiol (CAS NO.105-09-9), its Synonyms are 1,4-Benzenebis(methanethiol) ; 1,4-Bis(mercaptomethyl)benzene ; alpha,alpha'-p-Xylenedithiol ; p-Xylylenedithiol ; p-Xylene-alpha,alpha'-dithiol .

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