癸酰氯

Decanoyl chloride

HCID 66982CAS 112-13-0
子结构检索查找相似结构

基本信息

标准SMILES
CCCCCCCCCC(=O)Cl
InChIKey
IPIVAXLHTVNRBS-UHFFFAOYSA-N
分子式
C10H19ClO
平均分子量
190.71 g/mol
单同位素质量
190.11244291

名称与标识

首选名称
Decanoyl chloride
IUPAC
decanoyl chloride
中文名
癸酰氯
英文名
Decanoyl chloride
分子式
C10H19ClO
分子量
190.71

名称与别名

Decanoyl chloride112-13-0decanoylchlorideCapric acid chloriden-Decanoyl chloridedecanoic acid chlorideMFCD00000771FJ16IN0UIMCaprinoyl chlorideEINECS 203-938-0Capric Acid Chloride; Capric Chloride; Caprinoyl Chloride; Decanoic Acid Chloride; n-Decanoyl Chloridecaprinic acid chloride
展开更多名称
癸酰癸酰氨癸酰氯癸醯氯己醯氯十酰氯正癸酰基癸酸酰氯氯化己醯十一酰氯DecanoyLN-CAPROYL CHLORIDECAPRIC CHLORIDECAPRYL CHLORIDECaprylic chlorideN-HEXANOYL CHLORIDE
n-decanoic acid chlorideDecanoyl chloride, 98%UNII-FJ16IN0UIMEC 203-938-0SCHEMBL234531orb1737499DTXSID4059413SBB060015

数据库标识

CAS
112-13-0
PubChem CID
66982
DTXSID
DTXSID4059413
UNII
FJ16IN0UIM
EC Number
203-938-0
Nikkaji
J79.449J

性质

结构计算性质

XLogP
5.1
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
8
重原子
12

实验与物化性质

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学性质

熔点
-87 °C · -87 °C
沸点
94 · 94-96 °C/5 mmHg (lit.)
密度
0.919 g/mL · 0.919 g/mL at 25 °C (lit.)
蒸气密度
6.57 · 6.57 (vs air)
折射率
20 · n20/D 1.441(lit.)
闪点
223 °F · 223 °F

化学性质

沸点114℃（2.0kPa），94-96℃（0.67kPa），相对密度0.919，折光率1.4410，闪点106℃。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 0.6% (1 of 170) of reports.

Danger

H290 (70.6%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 3 条

Chemical: Decanoyl chloride

Status: Active Update: 11-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5891

Decanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Decanoyl chloride: Human health tier I assessment
Hazards SummaryReacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesMet. Corr. 1 (70.6%)

毒理信息

Adverse EffectsDermatotoxin - Skin burns.

安全数据

F
10-21
wgk
3
tsca
TSCA listed
包装类别
II
危险等级
8
存储类别
8A - Combustible corrosive hazardous materials

化学与工业

用途与制造

UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationDecanoyl chloride: ACTIVE

应用领域

用途医药中间体。

制备方法

生产方法由正癸酸经氯化而得。将癸酸加入反应锅，在30℃以下慢慢滴加氯化亚砜。待反应缓和后，慢慢加热至80-90℃，反应至氯化氢气体不再逸出为止。常压回收氯化亚砜后，减压蒸馏，收集114-118℃（2.0kPa）馏分，得癸酰氯。

上下游产品信息

试剂价格

A19486 · 500g
癸酰氯, 98%Decanoyl chloride, 98% — 6020元
16119 · 500g
癸酰氯Decanoyl chloride, 98+%, Thermo Scientific Chemicals — 1835元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

相关反应

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