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HomeProduct name list4-CHLOROPHENYL ISOTHIOCYANATE

4-CHLOROPHENYL ISOTHIOCYANATE

  • CAS NO.:2131-55-7
  • Empirical Formula: C7H4ClNS
  • Molecular Weight: 169.63
  • MDL number: MFCD00004810
  • EINECS: 218-358-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-23 13:52:06
4-CHLOROPHENYL ISOTHIOCYANATE Structural

What is 4-CHLOROPHENYL ISOTHIOCYANATE?

Chemical properties

light yellow crystalline mass

The Uses of 4-CHLOROPHENYL ISOTHIOCYANATE

4-Chlorophenyl isothiocyanate has been used in the synthesis of thiosemicarbazides. It was also used as building block for the synthesis of N-alkylated 2-arylaminobenzimidazoles.

Synthesis Reference(s)

Chemistry Letters, 6, p. 573, 1977
Organic Syntheses, Coll. Vol. 1, p. 165, 1941
Tetrahedron Letters, 38, p. 1597, 1997 DOI: 10.1016/S0040-4039(97)00121-4

Purification Methods

Check the IR first to see if free from OH frequencies. Triturate it with pet ether (b 30-60o) and decant the solvent. Repeat this 5times. The combined extracts are evaporated under reduced pressure to give almost pure compound as a readily crystallisable oil with a pleasant anise odour. It can be recrystallised from the minimum volume of EtOH at 50o (do not boil too long as it could react). It can be purified by vacuum distillation. [van der Kerk et al. Org Synth Coll Vol V 223 1973, Beilstein 12 IV 1214.] It is an IRRITANT and causes dermatitis; use gloves.

Properties of 4-CHLOROPHENYL ISOTHIOCYANATE

Melting point: 42-44 °C(lit.)
Boiling point: 135-136 °C24 mm Hg(lit.)
Density  1.3181 (rough estimate)
refractive index  1.6100 (estimate)
Flash point: 110 °C
storage temp.  Refrigerator (+4°C)
form  powder to crystal
color  White to Light yellow
Sensitive  Moisture Sensitive
BRN  471610
CAS DataBase Reference 2131-55-7(CAS DataBase Reference)

Safety information for 4-CHLOROPHENYL ISOTHIOCYANATE

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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-CHLOROPHENYL ISOTHIOCYANATE

InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N

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