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Merck
CN

538337

Sigma-Aldrich

异氰酸 2-氯乙酯

low HCl, 97%

别名:

β-Chloroethylisocyanate, 1-Chloro-2-isocyanatoethane

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About This Item

线性分子式:
ClCH2CH2NCO
CAS号:
分子量:
105.52
Beilstein:
1071429
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

97%

折射率

n20/D 1.447 (lit.)

沸点

141-142 °C (lit.)

密度

1.237 g/mL at 25 °C (lit.)

官能团

amine
chloro
isocyanate

储存温度

2-8°C

SMILES字符串

ClCCN=C=O

InChI

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

InChI key

BCMYXYHEMGPZJN-UHFFFAOYSA-N

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应用

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

警示用语:

Danger

危险分类

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

靶器官

Respiratory system

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

132.8 °F - closed cup

闪点(°C)

56 °C - closed cup

个人防护装备

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

法规信息

新产品

历史批次信息供参考:

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)
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)
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)
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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