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410594

Sigma-Aldrich

2-Chloroethyl isothiocyanate

98%

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About This Item

Linear Formula:
ClCH2CH2NCS
CAS Number:
6099-88-3
Molecular Weight:
121.59
MDL number:
MFCD00041125
UNSPSC Code:
12352100
PubChem Substance ID:
24865535

Assay

98%

refractive index

n20/D 1.556 (lit.)

bp

80 °C/13 mmHg (lit.)

density

1.265 g/mL at 25 °C (lit.)

SMILES string

ClCCN=C=S

InChI

1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2

InChI key

ZUWFBQUHBOUPFK-UHFFFAOYSA-N

General description

2-Chloroethyl isothiocyanate is a chloroalkyl isothiocyanate derivative.

Application

2-Chloroethyl isothiocyanate may be used in the following studies:
  • To investigate the electrochemical properties of sulforaphane (SFR) by cyclic voltammetry and electrochemical quartz crystal microbalance (EQCM) methods.
  • Preparation of partially saturated thiazolo- and thiazino[2,3-b]quinazolinone derivatives, and asymmetric 2-[2′-(ethoxycarbonyl-cycloalkyl and -cycloalkenyl)-imino]-3-(2′′-thiazolin-2′′-yl)-thiazolidine diadducts.
  • Synthesis of 3-(β-D-ribofuranosyl)-6,7-dihydrothiazolo[3,2-a]purin-9-one.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Zbigniew Fijałek et al.
Journal of pharmaceutical and biomedical analysis, 32(4-5), 967-974 (2003-08-06)
Cyclic voltammetry (CV) and electrochemical quartz crystal microbalance (EQCM) methods were used to study the behavior of sulforaphane (SFR). To established electrochemical properties of SFR methyl-, ethyl-, 2-chloroethyl-, propyl-, butyl- and tert-butyl-isothiocyanates were examined at gold electrode. Optimal measurement parameters
Synthesis and structure determination of alicycle-fused thiazolo-and thiazino [2, 3-bquinazolones and cycloalkylimino-3 (N)-thiazolinylthiazolidines.
Huber I, et al.
Tetrahedron, 48(23), 4949-4956 (1992)
Heterocyclic aromatic anions with 4n+ 2p-electrons.
Bordwell FG and Fried HE.
The Journal of Organic Chemistry, 56(13), 4218-4223 (1991)

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