3,5-二甲基异恶唑-4-羰酰氯 (HCID 2736265)

名称与标识

首选名称: 3,5-Dimethylisoxazole-4-carbonyl Chloride
IUPAC: 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride
中文名: 3,5-二甲基异恶唑-4-羰酰氯
英文名: 3,5-Dimethylisoxazole-4-carbonyl chloride
分子式: C6H6ClNO2
分子量: 159.57

名称与别名

3,5-dimethylisoxazole-4-carbonyl chloride31301-45-8DTXSID00371242RefChem:271964DTXCID20322276673-076-13,5-dimethyl-1,2-oxazole-4-carbonyl chlorideMFCD00052555dimethyl-1,2-oxazole-4-carbonyl chloride4-Isoxazolecarbonyl chloride, 3,5-dimethyl-3,5-dimethylisoxasole-4-carbonyl chloride3,5-dimethylisoxazole-4-carbonylchloride

展开更多名称

3,5-二甲基-4-酰氯-异唑3,5-二甲基异唑-4-甲酰氯3,5-二甲基异噁唑-4-酰氯3,5-二甲基异噁唑-4-甲酰氯3,5-二甲基异噁唑-4-羰酰氯3,5-二甲基异恶唑-4-甲酰氯3,5-二甲基异恶唑-4-羰酰氯3,5-二甲基异恶唑-4-碳酰氯3,5-二甲基-4-异恶唑甲酰氯3,5-二甲基-4-酰氯-异噁唑BUTTPARK 27\08-44TIMTEC-BB SBB0054653,5-Dimethylisoxazole-4-carbonyl c3,5-Dimethylisoxazole-4-carbonylhloride5-Dimethylisoxazole-4-carbonyl chloride3,5-Dimethylisoxazole-4-carbnyl chloride

3,5-dimethyl-4-isoxazolecarbonyl chloride3,5-Dimethyl-isoxazole-4-carbonyl chlorideD4706SCHEMBL193631MPYGFFPGJMGVSW-UHFFFAOYSA-NALBB-010038BBL037778SBB005465

数据库标识

CAS: 31301-45-8
PubChem CID: 2736265
DTXSID: DTXSID00371242
EC Number: 673-076-1
Nikkaji: J1.581.245A

性质

结构计算性质

XLogP: 1.7
极性表面积: 43.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 151

物理化学性质

沸点: 90 °C · 90°C 15mm
密度: 1.282 · 1.282±0.06 g/cm3(Predicted)
折射率: 1.496 to · 1.4960 to 1.5000
形态: clear liquid
酸度系数(pKa): -2.98 · -2.98±0.28(Predicted)
颜色: Colorless to Light orange to Yellow
水溶解性: Reacts with water.
敏感性: Moisture Sensitive
CAS 数据库: 31301 · 31301-45-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesMet. Corr. 1 (12.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (12.5%)；STOT SE 3 (25%)

安全数据

hazard_note: Irritant
包装类别: II
危险等级: 8
安全说明: 26-36/37/39-26/36/37/39/45/60-20-45-25
海关编码: 29349990
危险品标志: C,Xi
危险类别码: 34-36
危险品运输编号: 3265

化学与工业

应用领域

简介3,5-二甲基异恶唑-4-甲酰氯为杂环衍生物，可用作医药中间体，用于医药实验研究和医药合成。

用途3,5-二甲基异恶唑-4-羰酰氯用作研究用化合物。

制备方法

合成方法以(Z)-3-(吡咯烷-1-基)2-丁酸乙酯为起始物料，经关环反应制备关键中间体3,5-二甲基异恶唑-4-甲酸乙酯，经酸水解得到3,5-二甲基异恶唑-4-甲酸，最后于草酰氯反应制备目标化合物3,5-二甲基异恶唑-4-羰酰氯。其合成反应式如下图：

上下游产品信息

上游原料

乙酰乙酸乙酯三氯氧磷三乙胺三氯甲烷苯盐酸氢氧化钠氯化亚砜四氢吡咯硝基乙烷

试剂价格

D4706 · 1g: 3,5-二甲基异恶唑-4-碳酰氯3,5-Dimethylisoxazole-4-carbonyl Chloride — 85元
D4706 · 5g: 3,5-二甲基异恶唑-4-碳酰氯3,5-Dimethylisoxazole-4-carbonyl Chloride — 1520元

供应商50 家

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

关联笔记

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3,5-二甲基异恶唑-4-羰酰氯

基本信息