CAS 51751-44-1 3,3'-Dibromo-2,2'-bithiophene (HCID 819087)

Names & identifiers

Preferred name: 3,3'-Dibromo-2,2'-bithiophene
IUPAC: 3-bromo-2-(3-bromothiophen-2-yl)thiophene
English name: 3,3'-Dibromo-2,2'-bithiophene
Molecular formula: C8H4Br2S2
Molecular weight: 324.06

Names & synonyms

3,3'-dibromo-2,2'-bithiophene51751-44-1DTXSID50356044RefChem:269899DTXCID60307103663-413-03,3'-Dibromo-2,2'-dithiopheneMFCD001148062,2'-Bithiophene, 3,3'-dibromo-3-bromo-2-(3-bromothiophen-2-yl)thiophene3,3`-Dibromo-2,2`-bithiopheneGEO-00945

Show more names

Na ≥2TH-2Bra-bithiophenyl5-Triiodo-β-Bi-p-anisidine-Oxy-venetoclax-Dicyanobiphenyl-Diformylbiphenyl-Dibromodiphenyl-d8

AKOS005110869CS-W002378PB18449SY032685D3798AI-942/251211183,3'-Dibromo-[2,2']bithiophenyl3-bromo-2-(3-bromo-2-thienyl)thiophene

Database identifiers

CAS: 51751-44-1
PubChem CID: 819087
DTXSID: DTXSID50356044
EC Number: 663-413-0
Nikkaji: J976.011C

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 103 °C · 103°C
Boiling point: 318.6 · 318.6±37.0 °C(Predicted)
Density: 1.951 · 1.951±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: powder
color: White to Yellow to Orange
InChI: InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKey: KBRZCEVRNLKHAZ-UHFFFAOYSA-N
SMILES: C1(C2SC=CC=2Br)SC=CC=1Br
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
Hazard Codes: T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 29339900 · 29339900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 29339900
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 3 items

Uses3,3’-Dibromo-2,2’-dithiophene is used in the preparation of benzothiadiazole copolymers which direct charge transport in thin-film transistors. Used in the synthesis of solar cells which are dithienopyrrole / anthracene based.

Usessuzuki reaction

Uses3,3'-Dibromo-2,2'-dithiophene is used in the preparation of benzothiadiazole copolymers which direct charge transport in thin-film transistors. Used in the synthesis of solar cells which are dithienop yrrole / anthracene based.

Upstream & downstream products

Upstream raw materials

Downstream products

3,4-Dithia-7H-cyclopenta[a]pentalene 4-(2-Ethylhexyl)-4H-dithieno[3,2-b:2',3'-d]pyrrole 4,4-Dihexyl-4H-cyclopenta[1,2-b:5,4-b']dithiophene 3,3'-Dibromo-5,5'-bis(trimethylsilyl)-2,2'-bithiophene 4,4-Dioctyl-4H-silolo[3,2-b:4,5-b']dithiophene 4-(tert-Butyl)-4H-dithieno[3,2-b:2',3'-d]pyrrole 3,3'-diiodo-2,2'-bithiophene [2,2'-bithiophene]-3,3'-dicarboxylic acid

Suppliers100 total

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]

T&W GROUP021-61551611 13296011611 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

13 records

New reaction record

HRID 278831As productuspto-grants-2002_03

HRID 278832As reactantuspto-grants-2002_03

HRID 536988As productuspto-grants-2014_10

HRID 873499As productuspto-grants-2015_03

HRID 1160595As productuspto-grants-2010_10

HRID 1160596As reactantuspto-grants-2010_10

HRID 1786785As productuspto-grants-2009_03

HRID 1786786As reactantuspto-grants-2009_03

Compound notes

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Basic information