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4-Chlorothiophenol Structure

4-Chlorothiophenol

Chemical Properties

Melting point 49-51 °C(lit.)
Boiling point 205-207 °C(lit.)
Density  1.1911
refractive index  1.5480
Flash point >230 °F
storage temp.  2-8°C
solubility  methanol: soluble
pka pK1:5.9 (25°C)
form  Crystalline Solid
color  White to almost white
Water Solubility  insoluble
Sensitive  Stench/Lachrymatory
BRN  605971
InChI 1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey VZXOZSQDJJNBRC-UHFFFAOYSA-N
SMILES Sc1ccc(Cl)cc1
CAS DataBase Reference 106-54-7(CAS DataBase Reference)
NIST Chemistry Reference Benzenethiol, 4-chloro-(106-54-7)
EPA Substance Registry System Benzenethiol, 4-chloro- (106-54-7)

Safety Information

Hazard Codes  C
Risk Statements  22-34-36/37-20/21/22
Safety Statements  26-36/37/39-45-27
RIDADR  UN 3261 8/PG 2
WGK Germany  3
RTECS  DC1050000
F  9-13-23
Hazard Note  Corrosive/Lachrymatory/Stench
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29309090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Skin Corr. 1B

MSDS

Usage And Synthesis

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