基本情報
- 標準SMILES
CCN(CC)C(=S)[S-].O.O.O.[Na+]- InChIKey
WWGXHTXOZKVJDN-UHFFFAOYSA-M- 分子式
- C5H16NNaO3S2
- 平均分子量
- 225.3 g/mol
- 単同位体質量
- 225.04692965
名称と識別子
- 優先名称
- Sodium diethyldithiocarbamate trihydrate
- IUPAC
- sodium;N,N-diethylcarbamodithioate;trihydrate
名称と別名
20624-25-3Sodium diethyldithiocarbamate trihydrateDitiocarb sodium trihydrateDithiocarb trihydrateDTXSID3021275Sodium N,N-diethyldithiocarbamate trihydrateCarbamodithioic acid, N,N-diethyl-, sodium salt, hydrate (1:1:3)Carbamodithioic acid, diethyl-, sodium salt, trihydrateUNII-04574EXF2C04574EXF2CDTXCID601275DITIOCARB SODIUM TRIHYDRATE [MI]
名称をさらに表示
RefChem:183864Carbamic acid, diethyldithio, sodium salt, trihydrate677-810-1Sodium diethylcarbamodithioate trihydrateDiethyldithiocarbamic acid sodium salt trihydrateCarbamic acid, diethyldithio-, sodium salt, trihydratesodium;N,N-diethylcarbamodithioate;trihydrateMFCD00150617
データベース識別子
- CAS
20624-25-3- PubChem CID
- 517546
- DTXSID
DTXSID3021275- ChEMBL
CHEMBL3185333- UNII
- 04574EXF2C
- EC Number
- 677-810-1
物性
構造計算による物性
- 極性表面積
- 39.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 83
実験および物理化学的性質
Chemical ClassesOther Uses -> Chelating Agents
Density1.1 @ 20°C
Physical DescriptionSolid; [Merck Index] Hygroscopic solid; [Sigma-Aldrich MSDS]
安全と法規制
GHS分類
GHS Classification
Danger
H302 (84.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 139 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Carbamodithioic acid, diethyl-, sodium salt, trihydrate
Sodium diethyldithiocarbamate, trihydrate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Sodium diethyldithiocarbamate.
Hazard Classes and CategoriesAcute Tox. 4 (84.2%)
安全と保護具
Protective Action Criteria (PAC)
5.3 [mg/m3]
50 [mg/m3]
300 [mg/m3]
毒性情報
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
化学と産業
用途と製造
UsesUsed as a chelating agent for copper, a drug to treat Wilson's Disease, and an antidote for nickel and cadmium poisoning; [Merck Index]
関連反応
7 件
関連ノート
読み込み中…