ステアロイルクロリド
Stearoyl chloride
基本情報
- CAS
112-76-5- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)Cl- InChIKey
WTBAHSZERDXKKZ-UHFFFAOYSA-N- 分子式
- C18H35ClO
- 平均分子量
- 302.9 g/mol
- 単同位体質量
- 302.23764342
名称と識別子
- 優先名称
- Stearoyl chloride
- IUPAC
- octadecanoyl chloride
- 現地名
- ステアロイルクロリド
- 英語名
- STEAROYL CHLORIDE
- 分子式
- C18H35ClO
- 分子量
- 302.92
名称と別名
STEAROYL CHLORIDEOctadecanoyl chloride112-76-5Stearic acid chlorideStearic chloriden-Octadecanoyl chlorideOctadecanoic acid, chlorideMYP8E32GM2DTXSID9051583RefChem:185406DTXCID3030135204-004-5
名称をさらに表示
ステアロイルクロリドオクタデカノイルクロリドステアリン酸クロリドオクタデカン酸クロリドステアリン酸クロライドステアロイルクロライド 塩化物塩化N-オクタデカノイル塩化ステアロイルステアロイル＝クロリド塩化オクタデカノイルステアロイルクロライドSTCLstearicchlorideStearic cgkirudeStearoyl chloridStearoylChloride>Octadecanoyl chloridSTEARYL CHLORIDE 98%
Stearyl chlorideoctadecanoic acid chlorideMFCD00000744octadecanoylchlorideHSDB 5576EINECS 204-004-5UNII-MYP8E32GM2C18H35ClO
データベース識別子
- CAS
112-76-5- PubChem CID
- 8212
- DTXSID
DTXSID9051583- UNII
- MYP8E32GM2
- EC Number
- 204-004-5
- Nikkaji
- J110.175G
物性
構造計算による物性
- XLogP
- 8.4
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 16
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 204
実験および物理化学的性質
Chemical ClassesOther Classes -> Stearates
Solubility
SOL IN HOT ALCOHOL
SOL IN HYDROCARBONS AND ETHERS
Boiling Point215 °C @ 15 MM HG
Melting Point23 °C
Refractive IndexINDEX OF REFRACTION: 1.4523 @ 24 °C/D
Physical Description
Liquid
mp = 23 deg C; [HSDB] Slightly viscous liquid; mp = 18-22 deg C; [MSDSonline] White solid; mp = 21 deg C; [MSDSonline]
物理化学的性質
- 融点
- 21 · 21-22 °C(lit.)
- 沸点
- 174 · 174-178 °C2 mm Hg(lit.)
- 比重(密度)
- 0.897 g/mL · 0.897 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.034 · 0.034-20Pa at 25-115.2℃
- 屈折率
- 20 · n20/D 1.454(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- soluble in Toluene,Acetone
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H290 (59.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 180 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: Octadecanoyl chloride
Octadecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoyl chloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12664
Stearoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octadecanoyl chloride: Environment tier I assessment
Hazards Summary
Induces general anesthesia and causes ataxia in lethal-dose feeding studies of rats; [RTECS] Reacts violently with water forming hydrochloric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See STEARATES.
Hazard Classes and Categories
Met. Corr. 1 (59.4%)
Skin corrosion/irritation - Category 2
毒性情報
化学と産業
用途と製造
Uses
Used in the synthesis of organic compounds; [Hawley]
PREPN OF SUBSTITUTED AMINES AND AMIDES, ACID ANHYDRIDES, ESTERIFICATION OF ALCOHOLS, SYNTHESIS OF OTHER ORG COMPD
U.S. Production2023: 10,000,000 - <50,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octadecanoyl chloride: ACTIVE
応用分野
用途医薬原料,有機合成中間体
使用Stearoyl Chloride is usually used in the synthesis of tumor-associated macrophages and antitumor agents.
上流・下流製品情報
上流原料
下流製品
関連反応
208 件
化合物ノート
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