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Merck
CN

538337

异氰酸 2-氯乙酯

low HCl, 97%

别名:

β-Chloroethylisocyanate, 1-Chloro-2-isocyanatoethane

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关于此项目

线性分子式:
ClCH2CH2NCO
化学文摘社编号:
分子量:
105.52
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-734-4
Beilstein/REAXYS Number:
1071429
MDL number:
Assay:
97%
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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

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

存储类别

3 - Flammable liquids

wgk

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

法规信息

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分析证书(COA)

Lot/Batch Number

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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)
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)
M R Davis et al.
Chemical research in toxicology, 6(3), 376-383 (1993-05-01)
The antitumor agent N,N'-bis(2-chloroethyl)-N-nitrosourea (BCNU) is known to be unstable in aqueous solution, and to degrade spontaneously to reactive alkylating and carbamoylating intermediates. Whereas the alkylating component is believed to be responsible for the antitumor effects of this drug, it



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货号GTIN
538337-25G04061832566313
538337-5G04061837507724