5-Bromothiophene-2-carbonitrile

HCID 3595059CAS 2160-62-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#Cc1ccc(Br)s1
InChIKey: YVVHCBNJWHPMCQ-UHFFFAOYSA-N
Summenformel: C5H2BrNS
Durchschnittliche Molmasse: 188,05 g/mol
Monoisotopische Masse: 186,90913216

Namen und Bezeichner

Bevorzugter Name: 5-Bromothiophene-2-carbonitrile
IUPAC: 5-bromothiophene-2-carbonitrile
Englischer Name: 5-Bromothiophene-2-carbonitrile
Summenformel: C5H2BrNS
Molmasse: 188.05

Namen und Synonyme

5-Bromothiophene-2-carbonitrile2160-62-5DTXSID80393982RefChem:302093DTXCID70344842628-746-82-Cyano-5-bromothiophene2-bromo-5-cyanothiopheneMFCD049740805-bromo-2-thiophenecarbonitrile2-Thiophenecarbonitrile, 5-bromo-5-bromo thiophene-2-carbonitrile

Weitere Namen anzeigen

5-BROMOTHIOPHENE-2-CAR2-Bromo-5-cyanothiophene>5-BroMothiophene-2-carbon...5-cyanothiophene-2-carboxylic5-Bromothiophene-2-acetonitrile2-Thiophenecarbonitrile,5-broMo-

GEO-04253SB10569CS-0018994F9994-06445-bromo-2-cyanothi5-bromo-2-cyanothiopheneFT-0650302SCHEMBL867171

Datenbank-Bezeichner

CAS: 2160-62-5
PubChem CID: 3595059
DTXSID: DTXSID80393982
EC Number: 628-746-8
Nikkaji: J1.524.504B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Siedepunkt: 124 °C/34mmHg · 124°C/34mmHg(lit.)
Dichte: 1.694 g/mL · 1.694 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.6190(lit.)
Flammpunkt: 214 °F · 214 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wichte: 1.619 · 1.619
InChI: InChI=1S/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H
InChIKey: YVVHCBNJWHPMCQ-UHFFFAOYSA-N
SMILES: C1(C#N)SC(Br)=CC=1

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.