3,3',5,5'-Tetrabromo-2,2'-bithiophene

HCID 2740586

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Basic information

CAS: 125143-53-5
Standard SMILES: Brc1cc(Br)c(-c2sc(Br)cc2Br)s1
InChIKey: MOMHMPZSZNZLAK-UHFFFAOYSA-N
Molecular formula: C8H2Br4S2
Average molar mass: 481.9 g/mol
Monoisotopic mass: 477.63314046

Names & identifiers

Preferred name: 3,3',5,5'-Tetrabromo-2,2'-bithiophene
IUPAC: 3,5-dibromo-2-(3,5-dibromothiophen-2-yl)thiophene
English name: 3,3',5,5'-Tetrabromo-2,2'-bithiophene
Molecular formula: C8H2Br4S2
Molecular weight: 481.85

Names & synonyms

3,3',5,5'-Tetrabromo-2,2'-bithiophene125143-53-5DTXSID50372380RefChem:484852DTXCID90323412663-436-63,5-dibromo-2-(3,5-dibromothiophen-2-yl)thiopheneMFCD001148072,2'-Bithiophene, 3,3',5,5'-tetrabromo-CS-W004537T26993,3'5,5'-TETRABROMO-2,2'-BITHIOPHENE

Show more names

2TH-4Br2T2Br-2Br3,3 ', 5,5' - Tetrabromo-2,2 '- dithiophene(R)-(-)-1-[(s)-2-(dicyclohexylphosphino)ferrocenyl]3,3′,5,5′-Tetrabromo-2,2′-bithiophene, CAS 125143-53-5

3,3',5,5'-Tetrabromo-2,2'-bithiophene, 97%Q63409723C8H2Br4S23,5-Dibromo-2-(3,5-Dibromothiophen-2-Yl)Thiophene;2,2'-Bithiophene, 3,3',5,5'-Tetrabromo-3,5-dibromo-2-(3,5-dibromo-2-thienyl)thiopheneSCHEMBL2015363GEO-027803,3 inverted exclamation mark ,5,5

Database identifiers

CAS: 125143-53-5
PubChem CID: 2740586
DTXSID: DTXSID50372380
EC Number: 663-436-6
Nikkaji: J389.656K

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 194

Physicochemical properties

Melting point: 138 to · 138.0 to 144.0 °C
Boiling point: 371 · 371.0±37.0 °C(Predicted)
Density: 2.428 · 2.428
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: powder to crystal
color: White to Light yellow to Green
InChI: 1S/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H
InChIKey: MOMHMPZSZNZLAK-UHFFFAOYSA-N
SMILES: Brc1cc(Br)c(s1)-c2sc(Br)cc2Br
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Eye Dam. 1