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基本情報
- CAS
79-40-3- 標準SMILES
NC(=S)C(N)=S- InChIKey
OAEGRYMCJYIXQT-UHFFFAOYSA-N- 分子式
- C2H4N2S2
- 平均分子量
- 120.2 g/mol
- 単同位体質量
- 119.98159013
概要
indicator for copper, cobalt, & nickel; structure
名称と識別子
- 優先名称
- Dithiooxamide
- IUPAC
- ethanedithioamide
- 現地名
- ジチオオキサミド
- 英語名
- Dithiooxamide
- 分子式
- C2H4N2S2
- 分子量
- 120.2
名称と別名
Dithiooxamide79-40-3ETHANEDITHIOAMIDERubeanic acidRubeaneRubeanHydrorubeanic acidDithioxamideOxamide, dithio-USAF B-43USAF EK-4394USAF MK-6
名称をさらに表示
ルベアン酸ルベアン1,2-ジイミノ-1,2-エタンビスチオールエタンビス(チオアミド)1,2-ジアミノエタン-1,2-ジチオンエタンビスチオアミドジチオカルバメートエタンジチオアミドジチオオキサミドEthanebis(thioamide)ETHAMSYLATERVKusafmk-6a-Thionex
Oxaldiimidic acid, dithio-DTXSID3020546Oxalic acid, dithiono-, diamideHE28T8Z08DNSC-1893DTXCID10546RefChem:135207201-203-9
データベース識別子
- CAS
79-40-3- PubChem CID
- 2777982
- DTXSID
DTXSID3020546- ChEMBL
CHEMBL3184806- UNII
- HE28T8Z08D
- EC Number
- 201-203-9
- Nikkaji
- J4.882H
物性
構造計算による物性補完中
- XLogP
- -0.4
- 極性表面積
- 116 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 75.5
実験および物理化学的性質
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesBoiling point
Color/Form
RED CRYSTALS OR CRYSTALLINE POWDER
ORANGE-RED POWDER
Solubility
SLIGHTLY SOL IN WATER; SOL IN ALCOHOLS; INSOL IN ETHER
SOL IN CONCN SULFURIC ACID
SOL IN ACETONE & CHLOROFORM
Melting PointMP: SUBLIMES
Physical DescriptionRed solid; [Merck Index] Red crystalline powder; [Alfa Aesar MSDS]
Other Experimental Properties
DECOMPOSES @ ABOUT 200 °C
DECOMPOSES @ 140 °C; CAN FORM SERIES OF N,N'-DERIV; FORMS HIGHLY COLORED STABLE COMPLEXES WITH MANY IONS
物理化学的性質
- 融点
- 300 °C · ≥300 °C(lit.)
- 沸点
- 287.76 °C · 287.76°C (estimate)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 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: Ethanedithioamide
Ethanedithioamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence, convulsions, and changes in motor activity in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RP1575000
- 毒性
- LD50 orally in Rabbit: 500 mg/kg
- hs_code
- 29309070
- risk_code
- 22-36/37/38
- hazard_code
- Xn
化学と産業
用途と製造
Uses
Used as reagent for copper, cobalt, and nickel; as a stabilizer of ascorbic acid solutions; and as a chemical intermediate; [HSDB]
CHEMICAL INTERMEDIATE
AS REAGENT FOR COPPER, COBALT, & NICKEL; AS STABILIZER OF ASCORBIC ACID SOLN
General Manufacturing InformationEthanedithioamide: ACTIVE
応用分野
用途分析用試薬(Co,Ni,Cu,Ru)。有機合成原料。
使用Dithiooxamide acts as a chelating agent and used in the determination of copper(II), nickel(II) and cobalt(II). It is used as a building block in the synthesis of cyclen. It is involved in the preparation of thiazolothiazole-linked porous organic polymers and N,N'-disubstituted dithiooxamides. It is also employed as a modifier to prepare the modified glassy carbon electrode which is used to investigate the electrochemical properties of quercetin, an important flavonoid derivative. Further, it is involved in the preparation of chelating resin with formaldehyde, which finds application in separation and concentration of silver ions.
一般的な説明Dithiooxamide is reported to form complexes with Ni(II).
調製方法
純化方法Crystallise dithiooxamide from EtOH and sublime it at high vacuum. [Beilstein 2 IV 1871.]
上流・下流製品情報
下流製品
関連反応
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化合物ノート
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