422959
3,5,5-三甲基己酰氯
98%
别名:
异壬酰氯
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关于此项目
线性分子式:
(CH3)3CCH2CH(CH3)CH2COCl
化学文摘社编号:
分子量:
176.68
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
方案
98%
表单
liquid
折射率
n20/D 1.436 (lit.)
沸点
188-190 °C (lit.)
密度
0.93 g/mL at 25 °C (lit.)
SMILES字符串
CC(CC(Cl)=O)CC(C)(C)C
InChI
1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChI key
GEKPNPPFAYJZRD-UHFFFAOYSA-N
一般描述
3,5,5-三甲基己酰氯（一种异氰酸酯）是一种酸性氯化物。据报道，其是通过用亚硫酰氯氯化异壬酸来合成的。
应用
可使用3,5,5-三甲基己酰氯（异壬基氯化物）：
- 作为巴比妥酸类似物合成中的试剂
- 作为合成α-N-轻微补充粘菌素九肽衍生物的起始原料。
- 作为合成3，5，5-三甲基己酰胺的反应物。
警示用语：
Danger
危险分类
Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Met. Corr. 1 - Skin Corr. 1A - Skin Sens. 1
补充剂危害
储存分类代码
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 1
闪点(°F)
284.0 °F - closed cup
闪点(°C)
140 °C - closed cup
个人防护装备
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Yong-Chul Jeong et al.
Molecules (Basel, Switzerland), 20(3), 3582-3627 (2015-02-25)
The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and
Outer-Sphere Coordination Chemistry: Amido-Ammonium Ligands as Highly Selective Tetrachloridozinc (II) ate Extractants.
Turkington JR, et al.
Inorganic Chemistry, 51(23), 12805-12819 (2012)
Chemical synthesis, isolation and characterization of a-N-fattyacyl colistin nonapeptide with special reference to the correlation between antimicrobial activity and carbon number of fattyacyl moiety.
Chihara S, et al.
Agricultural and Biological Chemistry, 38(3), 521-529 (1974)
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