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Key Documents

Safety Information

538337

Sigma-Aldrich

2-Chloroethyl isocyanate

low HCl, 97%

Synonym(s):

β-Chloroethylisocyanate, 1-Chloro-2-isocyanatoethane

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About This Item

Linear Formula:
ClCH2CH2NCO
CAS Number:
Molecular Weight:
105.52
Beilstein:
1071429
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

refractive index

n20/D 1.447 (lit.)

bp

141-142 °C (lit.)

density

1.237 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

ClCCN=C=O

InChI

1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2

InChI key

BCMYXYHEMGPZJN-UHFFFAOYSA-N

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Application

2-Chloroethyl isocyanate may be used in the synthesis of:
  • 8-carbamoyl-3-(2-chloroethyl)imidazo[5,1-d]-l,2,3,5-tetrazin-4(3H)-one
  • 1-(2-chloroethyl)-3-(2-hydroxyethyl) urea
  • 3-substituted 1-(2-chloroethyl)-3-β-glycosylureas
  • 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea (CCNU)
  • (2-chloroethyl)-4-acetoxybenzyl ester

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

132.8 °F - closed cup

Flash Point(C)

56 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis and evaluation of several new (2-chloroethyl) nitrosocarbamates as potential anticancer agents
Reynolds RC, et al.
Journal of Medicinal Chemistry, 43.8, 1484-1488 (2000)
A new class of nitrosoureas. 4. Synthesis and antitumor activity of disaccharide derivatives of 3, 3-disubstituted 1-(2-chloroethyl)-1-nitrosoureas
Tsujihara, Kenji, et al.
Journal of Medicinal Chemistry, 25.4, 441-446 (1982)
Synthesis, metabolism, and antitumor activity of deuterated analogs of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea
Farmer PB, et al.
Journal of Medicinal Chemistry, 21.6, 514-520 (1978)
Reactions of 1, 3-bis (2-chloroethyl)-1-nitrosourea and 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea in aqueous solution
Weinkam RJ and Lin HS.
Journal of Medicinal Chemistry, 22.10, 1193-1198 (1979)
Antitumour imidazotetrazines. 1. Synthesis and chemistry of 8-carbamoyl-3-(2-chloroethyl) imidazo [5, 1-d]-1, 2, 3, 5-tetrazin-4 (3H)-one, a novel broad-spectrum antitumor agent
Stevens, Malcolm FG, et al.
Journal of Medicinal Chemistry, 27.2, 196-201 (1984)

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