2-Chloroethyl isothiocyanate
[CAS# 6099-88-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate
• Name: 2-Chloroethyl isothiocyanate
• Synonyms: beta-Chloroethyl isothiocyanate
• Molecular Formula: C₃H₄ClNS
• Molecular Weight: 121.59
• CAS Registry Number: 6099-88-3
• EC Number: 626-518-2

Properties

• Solubility: Slightly soluble (1 g/L) (25 ºC), Calc.^*
• Density: 1.265 g/cm³ (20 ºC)^**
• Melting point: 172 ºC^***
• Boiling point: 83-87 ºC (9 Torr)^****
• Refractive index: 1.5145 (589.3 nm 20 ºC)^****
• Flash point: 70.2±22.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2017 ACD/Labs)

^** Brintzinger, Herbert; Chemische Berichte 1949, V82, P389-99.

^*** Datar, Prasanna A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2003, V42B(3), P690-694.

^**** Hwa, Jesse C. H.; Journal of the American Chemical Society 1959, V81, P3604-7.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Flammable liquids	Flam. Liq.	3	H226
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312
Respiratory sensitization	Resp. Sens.	1	H334
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	3	H301
Acute toxicity	Acute Tox.	3	H331