4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole

HCID 22381654
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Grundinformationen

CAS
288071-87-4
Standard-SMILES
Brc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1
InChIKey
ZIIMIGRZSUYQGW-UHFFFAOYSA-N
Summenformel
C14H6Br2N2S3
Durchschnittliche Molmasse
458,2 g/mol
Monoisotopische Masse
455,80599

Namen und Bezeichner

Bevorzugter Name
4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole
IUPAC
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole
Englischer Name
4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole
Summenformel
C14H6Br2N2S3
Molmasse
458.21

Namen und Synonyme

4,7-BIS(2-BROMO-5-THIENYL)-2,1,3-BENZOTHIADIAZOLERefChem:508193683-683-3288071-87-44,7-Bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole4,7-Bis(5-bromo-2-thienyl)-2,1,3-benzothiadiazole4,7-Bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-MFCD16619295C14H6Br2N2S3SCHEMBL680041SCHEMBL13902141
Weitere Namen anzeigen
BT-2ThBrBromothiophene Benzothiadiazole2,1,3-Benzothiadiazole, 4,7-bis(5-broMo-2-thie2,1,3-Benzothiadiazole,4,7-bis(5-broMo-2-thienyl)-4,7-di-2′-(5′-broMo)-thienyl-2,1,3-benzothiadiazole4,7-bis(5-bromothiophen-2-yl)benzo-2,1,3-thiadiazole4,7-Bis(5-bromo-2-thienyl)-2,1,3-benzothiadiazole >
DTXSID90625302ZIIMIGRZSUYQGW-UHFFFAOYSA-NAKOS016011667CS-W011563DS-6905SB66784AC-33742DA-18840

Datenbank-Bezeichner

CAS
288071-87-4
PubChem CID
22381654
DTXSID
DTXSID90625302
EC Number
683-683-3
Nikkaji
J1.766.334H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,5
Polarare Oberfläche (TPSA)
111 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
21

Physikochemische Eigenschaften

Schmelzpunkt
245 to · 245.0 to 249.0 °C
Siedepunkt
527.3 · 527.3±45.0 °C(Predicted)
Dichte
1.898 · 1.898
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
-1.63 · -1.63±0.50(Predicted)
Aggregatzustand
solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 40 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1 / PGIII
hs_code
29349990
risk_code
25-41
hazard_code
T
safety_code
26-39-45

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole is often used as an electron acceptor to synthesize donor–acceptor conjugated polymers. For example, it can be used as a high-purity monomer with 4-(4-((2-ethylhexyl)oxy)phenyl)-4H-dithieno[3,2-b:2′,3′-d]pyrrole (EPDP) through direct (hetero)arylation polymerization and using Pd(OAc)2 as a catalyst system to prepare donor-acceptor (D–A) conjugated polymers. This polymer can be used in the preparation of organic solar cells based on bulk-heterojunction (BHJ) structures[1].

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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