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Key Documents

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/REAXYS Number:
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.)

functional group

amine
chloro
isocyanate

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

signalword

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

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

132.8 °F - closed cup

flash_point_c

56 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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