2,3-Dibromthiophen

2,3-Dibromothiophene

HCID 76590CAS 3140-93-0

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Grundinformationen

Standard-SMILES: Brc1ccsc1Br
InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N
Summenformel: C4H2Br2S
Durchschnittliche Molmasse: 241,93 g/mol
Monoisotopische Masse: 239,8244

Namen und Bezeichner

Bevorzugter Name: 2,3-Dibromothiophene
IUPAC: 2,3-dibromothiophene
Lokaler Name: 2,3-Dibromthiophen
Englischer Name: 2,3-Dibromothiophene
Summenformel: C4H2Br2S
Molmasse: 241.93

Namen und Synonyme

2,3-Dibromothiophene3140-93-0Thiophene, 2,3-dibromo-EINECS 221-542-6NSC 99003ATRJNSFQBYKFSM-UHFFFAOYSA-DTXSID80185324RefChem:81579DTXCID90107815Thiophene, 2,3-dibromo-(8CI)Thiophene, 2,3-dibromo-(8CI)(9CI)221-542-6

Weitere Namen anzeigen

S0513AKOS 912572,3-DibromthiophenBUTTPARK 146\50-382,3-Dibromothiophene>2,3-Dibromothiophene 98%2,3-Dibromothiophene,97%

ATRJNSFQBYKFSM-UHFFFAOYSA-NInChI=1/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H2,3-dibromo-thiophenedibromothiopheneMFCD00005418NSC-99003NSC99003Thiophene,3-dibromo-

Datenbank-Bezeichner

CAS: 3140-93-0
PubChem CID: 76590
DTXSID: DTXSID80185324
UNII: WG6P33K5RT
EC Number: 221-542-6
Nikkaji: J80.647A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 66

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1227；1227

Physikochemische Eigenschaften

Schmelzpunkt: -17.5 °C · -17.5°C
Siedepunkt: 218 · 218-219 °C (lit.)
Dichte: 2.137 g/mL · 2.137 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.632(lit.)
Flammpunkt: 125 °F · 125 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: liquid
Wichte: 2.137 · 2.137
Farbe: White to Yellow to Green
BRN: 107512 · 107512
InChI: InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N
SMILES: C1(Br)SC=CC=1Br
CAS Datenbank: 3140 · 3140-93-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · Thiophene, 2,3-dibromo-(3140-93-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.