2-Bromthiophen

2-Bromothiophene

HCID 13851CAS 1003-09-4
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Grundinformationen

Standard-SMILES
Brc1cccs1
InChIKey
TUCRZHGAIRVWTI-UHFFFAOYSA-N
Summenformel
C4H3BrS
Durchschnittliche Molmasse
163,04 g/mol
Monoisotopische Masse
161,9138832

Namen und Bezeichner

Bevorzugter Name
2-Bromothiophene
IUPAC
2-bromothiophene
Lokaler Name
2-Bromthiophen
Englischer Name
2-Bromothiophene
Summenformel
C4H3BrS
Molmasse
163.04

Namen und Synonyme

2-BROMOTHIOPHENE1003-09-4Thiophene, 2-bromo-2-Thienyl bromideGFF929NUW7NSC 4456NSC-4456EINECS 213-699-4DTXSID40613892Thienyl bromideThiophene, 2bromoRefChem:467332
Weitere Namen anzeigen
2-BromthiophenS0502DKIIRINDIP-020forTipepidineThienyl bromide2-bromo-thiophen2-Bromothiaphene
DTXCID7032509213-699-4InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3Thiophene, bromo-Bromothiophene2-bromo-thiophene2-bromo thiopheneMFCD00005417

Datenbank-Bezeichner

CAS
1003-09-4、60326-18-3
PubChem CID
13851
DTXSID
DTXSID4061389
UNII
GFF929NUW7
EC Number
213-699-4
Nikkaji
J101.470F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
28,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
LogP2.75
Physical DescriptionClear slightly brown liquid with a stench; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-10 °C · -10 °C
Siedepunkt
149 · 149-151 °C (lit.)
Dichte
1.684 g/mL · 1.684 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.586(lit.)
Flammpunkt
140 °F · 140 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 03-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20637

2-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Highly toxic by skin absorption; Harmful by ingestion and inhalation; Oral LD50 (rat) = 200-250 mg/kg; [Acros Organics MSDS] See 3,4-Dibromothiophene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Toxicity DataLC50 (rat) = 1,040 mg/m3/4hr

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
ridadr
UN 2929 6.1/PG 2
hs_code
29349990
risk_code
10-25-41-51/53-36/37/38-23/24-22-20/21/22

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationThiophene, 2-bromo-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden2-Bromothiophene has been used in electrochemical reduction of a number of mono- and dihalothiophenes at carbon cathodes in dimethylformamide containing tetramethylammonium per chlorate by cyclic voltammetry and controlled-potential electrolysis.

Darstellung · 1 Eintrag

synthetische2-Bromothiophene is synthesized by bromination of thiophene, which is achieved through the following steps: dissolve thiophene in acetic acid, and add bromine in glacial acetic acid solution below 10°C. Water was added to the reaction mixture to precipitate an oily liquid. Extract with ether. Add potassium carbonate to the extract to remove acetic acid, dry it, distill off the ether, and then conduct vacuum distillation to collect fractions at 42-46°C (1.73kPa) to obtain 2-bromothiophene with a yield of 55%.

Vor- und nachgelagerte Produkte

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