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
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
253-168-4
MDL number:
产品名称
3,5,5-三甲基己酰氯, 98%
InChI key
GEKPNPPFAYJZRD-UHFFFAOYSA-N
InChI
1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
SMILES string
CC(CC(Cl)=O)CC(C)(C)C
assay
98%
form
liquid
refractive index
n20/D 1.436 (lit.)
bp
188-190 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
Application
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。
General description
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。
signalword
Danger
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Met. Corr. 1 - Skin Corr. 1A - Skin Sens. 1
supp_hazards
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 1
flash_point_f
284.0 °F - closed cup
flash_point_c
140 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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)
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
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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