Product Name

  • Name

    4-Bromothiophenol

  • EINECS 203-407-3
  • CAS No. 106-53-6
  • Article Data80
  • CAS DataBase
  • Density 1.599 g/cm3
  • Solubility Slightly soluble in water
  • Melting Point 73-76 °C
  • Formula C6H5BrS
  • Boiling Point 231.3 °C at 760 mmHg
  • Molecular Weight 189.076
  • Flash Point 93.7 °C
  • Transport Information UN 3335
  • Appearance White to light yellow crystal powder
  • Safety 26-36
  • Risk Codes R36/37/38   
  • Molecular Structure Molecular Structure of 106-53-6 (4-Bromothiophenol)
  • Hazard Symbols ToxicTCorrosiveC
  • Synonyms Benzenethiol,p-bromo- (6CI,7CI,8CI);1-Bromo-4-mercaptobenzene;4-Bromobenzenethiol;4-Bromophenylthiol;NSC 229563;NSC 32018;p-Bromobenzenethiol;p-Bromophenyl thiol;p-Bromothiophenol;Benzenethiol, 4-bromo-;
  • PSA 38.80000
  • LogP 2.73780

4-Bromothiophenol Chemical Properties


IUPAC Name: 4-Bromobenzenethiol
Canonical SMILES: C1=CC(=CC=C1S)Br
InChI: InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Molecular Weight: 189.0729 [g/mol]
Molecular Formula: C6H5BrS
XLogP3: 3.2 
EINECS: 203-407-3 
Melting Point: 73-76 °C(lit.)
Index of Refraction: 1.63
Molar Refractivity: 42.11 cm3
Molar Volume: 118.2 cm3
Surface Tension: 45 dyne/cm
Density: 1.599 g/cm3
Flash Point: 93.7 °C
Enthalpy of Vaporization: 44.89 kJ/mol
Boiling Point: 231.3 °C at 760 mmHg
Vapour Pressure: 0.0954 mmHg at 25 °C
Appearance: White to light yellow crystal powder
storage temp.: Refrigerator
Sensitive: Air Sensitive
Product Categories of 4-Bromothiophenol (CAS NO.106-53-6): Phenyls & Phenyl-Het; Phenol & Thiophenol & Mercaptan ;Miscellaneous; Phenyls & Phenyl-Het

4-Bromothiophenol Safety Profile

Hazard Codes: IrritantXi,ToxicT,CorrosiveC
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: 2923
WGK Germany: 3
F: 10-13-23
Hazard Note: Irritant
TSCA: T
HazardClass: 8
PackingGroup of 4-Bromothiophenol (CAS NO.106-53-6): III

4-Bromothiophenol Specification

  4-Bromothiophenol (CAS NO.106-53-6), its Synonyms are 4-Bromobenzenethiol ; p-Bromobenzenethiol ; p-Bromophenyl thiol ; p-Bromothiophenol ; Benzenethiol, 4-bromo- ; Benzenethiol, p-bromo- (8CI) .

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