基本情報
- 標準SMILES
CC(C)(C)CCCCCC(=O)Cl- InChIKey
WOFMVUZGDHWHLJ-UHFFFAOYSA-N- 分子式
- C10H19ClO
- 平均分子量
- 190.71 g/mol
- 単同位体質量
- 190.1124429
名称と識別子
- 優先名称
- Neodecanoyl chloride
- IUPAC
- 7,7-dimethyloctanoyl chloride
名称と別名
Neodecanoyl chloride7,7-dimethyloctanoyl chloride40292-82-8Neodecanoic chloride133028-20-3EINECS 254-875-0UNII-472HUY7V9X472HUY7V9XDTXSID00891218EC 254-875-0RefChem:165194DTXSID3028007
名称をさらに表示
DTXCID601030408254-875-02,5,5-TRIMETHYLHEPTANOYL CHLORIDENeodecanoylchlorideneodecanoic acid chlorideSCHEMBL81402AKOS006272372DB-024417
データベース識別子
- CAS
133028-20-3、40292-82-8- PubChem CID
- 94502
- DTXSID
DTXSID00891218- EC Number
- 254-875-0
- Nikkaji
- J3.371.057G
物性
構造計算による物性
- XLogP
- 4.4
- 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
- 6
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 135
実験および物理化学的性質
Physical DescriptionLiquid
安全と法規制
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
危険有害性情報
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl 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: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
Other Safety InformationIMAP assessments - Neodecanoyl chloride: Human health tier I assessment
Hazard Classes and Categories
Met. Corr. 1 (93.9%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (93.9%)；Eye Dam. 1 (91.3%)；Acute Tox. 2 (100%)；Aquatic Chronic 3 (95.7%)
Acute toxicity - category 2；Acute toxicity - category 4；Skin corrosion - category 1B
Acute Tox. 2 *；Acute Tox. 4 *；Skin Corr. 1B
法規制情報
Regulatory Information
Chemical: Neodecanoyl chloride
Neodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoyl 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: 15-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13712
化学と産業
用途と製造
U.S. Production2023: 500,000 - <1,000,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing；All Other Basic Organic Chemical Manufacturing
Neodecanoyl chloride: ACTIVE
関連反応
5 件
関連ノート
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