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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

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分析证书(COA)

Lot/Batch Number

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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)
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)
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)
Harald Møllendal et al.
The journal of physical chemistry. A, 115(46), 13474-13481 (2011-10-13)
2-Chloroethylisocyanide (ClCH(2)CH(2)N≡C) has been synthesized, and its microwave spectrum has been investigated in the 20-97 GHz spectral region. The spectra of (35)Cl and (37)Cl isotopologues of two conformers have been assigned. The Cl-C-C-N chain of atoms is antiperiplanar in one

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