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Basic Information
CAS No.: 105-09-9
Name: 1,4-Benzenedimethanethiol
Article Data: 18
Molecular Structure:
Molecular Structure of 105-09-9 (1,4-Benzenedimethanethiol)
Formula: C8H10S2
Molecular Weight: 170.299
Synonyms: p-Xylene-a,a'-dithiol (6CI,7CI,8CI);1,4-Benzenebis(methanethiol);1,4-Bis(mercaptomethyl)benzene;1,4-Xylylenedithiol;NSC 72094;p-Xylylenedithiol;a,a'-Dimercapto-p-xylene;a,a'-p-Xylenedithiol;
EINECS: 203-269-4
Density: 1.134 g/cm3
Melting Point: 45-46 °C(lit.)
Boiling Point: 292.127 °C at 760 mmHg
Flash Point: 118.827 °C
Appearance: white to pale yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 77.60000
LogP: 2.54620
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Chemistry


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

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

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 .