CAS 90069-81-1 3,4-Diaminothiophene dihydrochloride (HCID 12707342)

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Basic information

CAS: 90069-81-1
Standard SMILES: Cl.Cl.Nc1cscc1N
InChIKey: RAMOMCXNLLLICQ-UHFFFAOYSA-N
Molecular formula: C4H8Cl2N2S
Average molar mass: 187.09 g/mol
Monoisotopic mass: 185.9785248

Names & identifiers

Preferred name: 3,4-Diaminothiophene dihydrochloride
IUPAC: thiophene-3,4-diamine;dihydrochloride
English name: 3,4-DIAMINOTHIOPHENE DIHYDROCHLORIDE
Molecular formula: C4H7ClN2S
Molecular weight: 150.62

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 58

Physicochemical properties

Melting point: 150 °C · >150°C
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in DMSO
form: Crystalline Powder
color: Gray or brown
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 DataBase Reference: 90069 · 90069-81-1(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317-H318
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Hazard Codes: Xn,T

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29349990
risk_code: 20/21/22-39-43-41-25
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn,T
safety_code: 24/25-45-37-26
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H317-H318

Chemistry & industry

Applications · 2 items

Uses3,4-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.

General DescriptionThis 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