3,4-ジアミノチオフェン二塩酸塩

3,4-Diaminothiophene dihydrochloride

HCID 12707342

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 90069-81-1
標準SMILES: Cl.Cl.Nc1cscc1N
InChIKey: RAMOMCXNLLLICQ-UHFFFAOYSA-N
分子式: C4H8Cl2N2S
平均分子量: 187.09 g/mol
単同位体質量: 185.9785248

名称と識別子

優先名称: 3,4-Diaminothiophene dihydrochloride
IUPAC: thiophene-3,4-diamine;dihydrochloride
現地名: 3,4-ジアミノチオフェン二塩酸塩
英語名: 3,4-DIAMINOTHIOPHENE DIHYDROCHLORIDE
分子式: C4H7ClN2S
分子量: 150.62

名称と別名

3,4-Diaminothiophene DihydrochlorideRefChem:485835695-510-990069-81-1thiophene-3,4-diamine dihydrochlorideMFCD006715113,4-DIAMINOTHIOPHENE 2HCLthiophene-3,4-diamine;dihydrochlorideThiophene-3,4-diamine diHCl3,4-Diaminothiophene dihydrochloride, 97%SCHEMBL1064010DTXSID80507542

名称をさらに表示

3,4-ジアミノチオフェン二塩酸塩3,4‐ジアミノチオフェン二塩酸塩3,4-THIOPHENDIAMINE DIHYDROCHLORIDEthiophene-3,4-diamine hydrochloride3,4-Diaminothiophene Dihydrochloride >3,4-Diaminothiophene dihydrochloride,96%3,4-DIAMINOTHIOPHENE DIHYDROCHLORIDE 99%3,4-ThiophenediaMine,hydrochloride (1:2)3,4-Diaminothiophene dihydrochloride ,97%3,4-DIAMINOTHIOPHENE DIHYDROCHLORIDE ISO 9001：2015 REACH

AC-6951BP-10014BS-177943,4-Thiophenediamine DihydrochlorideThiophAMY109423,4-Thiophenediamine, dihydrochloridethiophene-3,4-diaminedihydrochloride

データベース識別子

CAS: 90069-81-1
PubChem CID: 12707342
DTXSID: DTXSID80507542
EC Number: 695-510-9

物性

構造計算による物性

極性表面積: 80.3 Å²
水素結合供与体数: 4
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 58

物理化学的性質

融点: 150 °C · >150°C
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: soluble in DMSO
外見: 結晶性粉末
色: グレーまたはブラウン
InChI: 1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
InChIKey: RAMOMCXNLLLICQ-UHFFFAOYSA-N
SMILES: Cl.Cl.Nc1cscc1N
CAS データベース: 90069 · 90069-81-1(CAS DataBase Reference)

化学的性質

化学的特性grey or brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)；Skin Sens. 1 (97.7%)；Eye Dam. 1 (97.7%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29349990
risk_code: 20/21/22-39-43-41-25
hazard_code: Xn,T
safety_code: 24/25-45-37-26
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

使用3,4-Diaminothiophene dihydrochloride can be used in the synthesis of thieno[3,4-b]pyrazine for thermoelectric applications. It can also be used in the synthesis of acenaphtho[1,2-b]thieno[3,4-e]pyrazine based acceptor molecules for the fabrication of organic transistors.

一般的な説明This material is a synthetic intermediate for organic electronics materials such as Arylenediimide-thiophene Derivatives for Organic n-channel field-effect transistors. 1They are also integral to the synthesis of thienopyrazine-based materials as low band gap materials for Organic Photovoltaic applications2 and as copolymer units for sensor applications.3