对叔丁基苯甲酰氯 (HCID 74372)

名称与标识

首选名称: 4-tert-Butylbenzoyl chloride
IUPAC: 4-tert-butylbenzoyl chloride
中文名: 对叔丁基苯甲酰氯
英文名: 4-tert-Butylbenzoyl chloride
分子式: C11H13ClO
分子量: 196.67

名称与别名

4-tert-Butylbenzoyl chloride1710-98-1Benzoyl chloride, 4-(1,1-dimethylethyl)-4-tert-Butylbenzoylchloridep-tert-Butylbenzoyl chlorideMFCD000006954-Tert-ButYl-Benzoyl Chloridep-t-butylbenzoyl chloride4-(tert-butyl)benzoyl chlorideBenzoyl chloride,4-(1,1-dimethylethyl)-4-tert-Butylbenzoic acid chlorideEINECS 216-973-1

展开更多名称

4-叔丁基苄氧氯对叔丁基苯甲酰氯4-叔丁基苯甲酰氯4-叔丁基苯甲酰氯,98%SKL12794-tert-Butylbenzoylbutylbenzoylchloride4-TERT-BTUYLBENZOYLCHLORIDEBenzoylchloride,p-tert-butyl-4-tert-Butylbenzoyl chloride 98%

4-t-butylbenzoyl chloride4-tertbutylbenzoyl chloride4-t-butyl-benzoyl chloridep-tert.butylbenzoyl chlorideJP27WES49W4-(t-butyl)benzoyl chlorideSCHEMBL38841p-tert.-butylbenzoyl chloride

数据库标识

CAS: 1710-98-1
PubChem CID: 74372
DTXSID: DTXSID0061903
UNII: JP27WES49W
EC Number: 216-973-1
Nikkaji: J60.345G

性质

结构计算性质

XLogP: 4.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 185

实验与物化性质

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesChemical shift

Physical DescriptionClear very slightly yellow liquid; [Acros Organics MSDS]

物理化学性质

熔点: 177.5 · 177.5-179 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
沸点: 135 °C20 · 135 °C20 mm Hg(lit.)
密度: 1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.536(lit.)
闪点: 190 °F · 190 °F
储存条件: 30 °C · Store below +30°C.
形态: Liquid
颜色: Clear colorless to very slightly yellow
水溶解性: Reacts with water.
敏感性: Moisture Sensitive
BRN: 775793 · 775793
InChI: 1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
InChIKey: WNLMYNASWOULQY-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)C(Cl)=O
CAS 数据库: 1710 · 1710-98-1(CAS DataBase Reference)
NIST化学物质信息: 4 · Benzoyl chloride, 4-(1,1-dimethylethyl)-(1710-98-1)
EPA化学物质信息: 4 · Benzoyl chloride, 4-(1,1-dimethylethyl)- (1710-98-1)

化学性质

无色或微黄液体，遇水或醇分介，溶于苯，沸点：135°C/2660Pa。

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

危害信息

Hazards Summary · 1 条

Reacts with water evolving hydrogen chloride; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS] See 4-Chlorobenzoyl chloride.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒理信息

Adverse EffectsDermatotoxin - Skin burns.

安全数据

F: 9-21
wgk: 3
tsca: TSCA listed
包装类别: II
危险等级: 8
存储类别: 8A - Combustible corrosive hazardous materials
安全说明: 26-36/37/39-45-24/25
海关编码: 29163900
危险品标志: C
危险性类别: Eye Dam. 1Skin Corr. 1B
危险类别码: 34-37
危险品运输编号: UN 3265 8/PG 2

化学与工业

用途与制造

General Manufacturing InformationBenzoyl chloride, 4-(1,1-dimethylethyl)-: INACTIVE

应用领域

用途用于医药中间体，有机合成。

上下游产品信息

上游原料

对叔丁基苯甲酸 N,N-二甲基甲酰胺乙醚氯化亚砜

下游产品

N-(4-AMINOPHENYL)-4-(TERT-BUTYL)BENZAMIDE 2-[(4-叔丁基苯基)甲酰氨基]-4-(甲基硫烷基)丁酸 2-[(4-叔丁基苯基)甲酰胺]乙酸 (4-(叔丁基)苯基)(3,4-二甲氧基苯基)甲酮

试剂价格

A14373 · 25g: 4-叔丁基苯甲酰氯, 98%4-tert-Butylbenzoyl chloride, 98% — 416元
16910 · 5g: 4-叔丁基苯甲酰氯4-tert-Butylbenzoyl chloride, 98%, Thermo Scientific Chemicals — 498元

供应商50 家

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

关联笔记

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对叔丁基苯甲酰氯

基本信息