5,5'-Dibromo-2,2'-bithiophene

HCID 638908CAS 4805-22-5

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Grundinformationen

Standard-SMILES: Brc1ccc(-c2ccc(Br)s2)s1
InChIKey: SXNCMLQAQIGJDO-UHFFFAOYSA-N
Summenformel: C8H4Br2S2
Durchschnittliche Molmasse: 324,1 g/mol
Monoisotopische Masse: 321,81211633

Namen und Bezeichner

Bevorzugter Name: 5,5'-Dibromo-2,2'-bithiophene
IUPAC: 2-bromo-5-(5-bromothiophen-2-yl)thiophene
Englischer Name: 5,5'-Dibromo-2,2'-bithiophene
Summenformel: C8H4Br2S2
Molmasse: 324.06

Namen und Synonyme

5,5'-dibromo-2,2'-bithiophene4805-22-52,2'-bithiophene, 5,5'-dibromo-DTXSID90348605RefChem:101011DTXCID80299677695-323-2InChI=1/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-42-bromo-5-(5-bromothiophen-2-yl)thiophene5,5-Dibromo-2,2-BithiopheneMFCD002191105,5'-dibromo-2,2-bithiophene

Weitere Namen anzeigen

M82302T-2Br2TH-2BrbSPECS AC-776/412525832,5'-DibroMobithiophene2,2'-Bi(5-bromothiophene)5,5'-DibroMo-2,2'-dithienyl5,5'-dibromo-2,2'-dithiophene

5,5'-bis[2-bromothiophene]5,5`-Dibromo-2,2`-bithiopheneHMS1526L07AC-776/41252583CCG-46129CS-W013945AC-4911SB66309

Datenbank-Bezeichner

CAS: 4805-22-5
PubChem CID: 638908
DTXSID: DTXSID90348605
EC Number: 695-323-2
Nikkaji: J389.653F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 56,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 147

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-146 °C(lit.)
Siedepunkt: 318.6 · 318.6±37.0 °C(Predicted)
Dichte: 1.951 · 1.951±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
InChIKey: SXNCMLQAQIGJDO-UHFFFAOYSA-N
SMILES: C1(C2SC(Br)=CC=2)SC(Br)=CC=1
CAS Datenbank: 4805 · 4805-22-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.