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HomeProduct name list4-Chlorothiophenol

4-Chlorothiophenol

Synonym(s):4-Chlorobenzenethiol;4-Chlorophenyl mercaptan

  • CAS NO.:106-54-7
  • Empirical Formula: C6H5ClS
  • Molecular Weight: 144.62
  • MDL number: MFCD00004847
  • EINECS: 203-408-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-18 17:01:59
4-Chlorothiophenol Structural

What is 4-Chlorothiophenol?

Chemical properties

white to almost white crystalline solid

The Uses of 4-Chlorothiophenol

4-Chlorothiophenol was used to modify poly(vinyl chloride) and to synthesize poly(vinyl chloride) with halogen groups.

The Uses of 4-Chlorothiophenol

Oil additives, agricultural chemicals, plasticizers, rubber chemical, dyes, wetting agents, and stabilizers.

Synthesis Reference(s)

The Journal of Organic Chemistry, 27, p. 4455, 1962 DOI: 10.1021/jo01059a081
Synthetic Communications, 18, p. 575, 1988 DOI: 10.1080/00397918808064014

General Description

4-Chlorothiophenol undergoes oxidative coupling catalyzed by iron(III)-tetra phenyl prophyrin to form disulfides.

Hazard

Toxic by ingestion.

Purification Methods

Recrystallise the thiophenol from aqueous EtOH. The SMe ether has m 129o and the SEt ether has m 64o. [D'Sousa et al. J Org Chem 52 1720 1987, Beilstein 6 H 326, 6 I 149, 6 III 1034.]

Properties of 4-Chlorothiophenol

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
form  Crystalline Solid
pka pK1:5.9 (25°C)
color  White to almost white
Water Solubility  insoluble
Sensitive  Stench/Lachrymatory
BRN  605971
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 for 4-Chlorothiophenol

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Chlorothiophenol

InChIKey VZXOZSQDJJNBRC-UHFFFAOYSA-N

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