3,4-Dibromthiophen

3,4-Dibromothiophene

HCID 18452CAS 3141-26-2

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Grundinformationen

Standard-SMILES: Brc1cscc1Br
InChIKey: VGKLVWTVCUDISO-UHFFFAOYSA-N
Summenformel: C4H2Br2S
Durchschnittliche Molmasse: 241,93 g/mol
Monoisotopische Masse: 239,82439526

Namen und Bezeichner

Bevorzugter Name: 3,4-Dibromothiophene
IUPAC: 3,4-dibromothiophene
Lokaler Name: 3,4-Dibromthiophen
Englischer Name: 3,4-Dibromothiophene
Summenformel: C4H2Br2S
Molmasse: 241.93

Namen und Synonyme

3,4-DIBROMOTHIOPHENE3141-26-2EINECS 221-546-8DTXSID50185336NSC 99007RefChem:485861Thiophene, 3,4dibromo (8CI)DTXCID60107827Thiophene, 3,4-dibromo-(8CI)Thiophene, 3,4dibromo (8CI)(9CI)Thiophene, 3,4-dibromo-(8CI)(9CI)221-546-8

Weitere Namen anzeigen

1,2,3,4-Tetra bromo thiopheneS0504TH-2BrbAKOS 933814-DibroMothiophene3,4-Dibromothiphenethiophene,3,4-dibromo-2,5-Dibromotthiophenone3,4-Dibromothiophene>

Thiophene, 3,4-dibromo-3,4-dibromo-thiopheneMFCD00005465Thiophene,4-dibromo-BIDD:GT0493GEO-00977AKOS000282034AC-4900

Datenbank-Bezeichner

CAS: 3141-26-2
PubChem CID: 18452
DTXSID: DTXSID50185336
EC Number: 221-546-8
Nikkaji: J80.649H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 58,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.12 [mmHg]

Physical DescriptionColorless liquid; mp = 4-5 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 4 · 4-5 °C (lit.)
Siedepunkt: 221 · 221-222 °C (lit.)
Dichte: 2.188 g/mL · 2.188 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.640(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wichte: 2.188 · 2.188
BRN: 107642 · 107642
InChI: InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKey: VGKLVWTVCUDISO-UHFFFAOYSA-N
SMILES: C1SC=C(Br)C=1Br
CAS Datenbank: 3141 · 3141-26-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · Thiophene, 3,4-dibromo-(3141-26-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Thiophene.

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,4-Dibromothiophene was used in the preparation of thieno[3,4-b]thiophene. It was aslo used as starting material in the synthesis of alkyl substituted, fused thiophenes.