5-Methylthiophene-2-carbonitrile

HCID 312733CAS 72835-25-7

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Grundinformationen

Standard-SMILES: Cc1ccc(C#N)s1
InChIKey: RBQRZWYCXAXPIN-UHFFFAOYSA-N
Summenformel: C6H5NS
Durchschnittliche Molmasse: 123,18 g/mol
Monoisotopische Masse: 123,01427016

Namen und Bezeichner

Bevorzugter Name: 5-Methylthiophene-2-carbonitrile
IUPAC: 5-methylthiophene-2-carbonitrile
Englischer Name: 5-methylthiophene-2-carbonitrile
Summenformel: C6H5NS
Molmasse: 123.18

Namen und Synonyme

5-methylthiophene-2-carbonitrileDTXSID30310260RefChem:537352DTXCID50261386816-386-672835-25-75-methyl-2-thiophenecarbonitrile2-Thiophenecarbonitrile, 5-methyl-MFCD014343342-CYANO-5-METHYLTHIOPHENENSC223386NSC-223386

Weitere Namen anzeigen

5-Methylthiophene-2-carbonitrile95%5-Methylthiophene-2-carbonitrile 95%5-Methylthiophene-2-carbonitrile, 98%2-Cyano-5-methylthiophene, 5-Methyl-2-thenonitrile

5-methyl-thiophene-2-carbonitrileXCA83525GEO-01953SY106743EN300-109663Z3360800582-Thiophenecarbonitrile,5-methyl-AMY4814

Datenbank-Bezeichner

CAS: 72835-25-7
PubChem CID: 312733
DTXSID: DTXSID30310260
UNII: 73AV9JBZ5M
EC Number: 816-386-6
Nikkaji: J2.382.264D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Siedepunkt: 73 °C · 73 °C
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
Brechungsindex: 1.554 to · 1.5540 to 1.5580
Flammpunkt: 86 ° · 86°
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
InChI: InChI=1S/C6H5NS/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChIKey: RBQRZWYCXAXPIN-UHFFFAOYSA-N
SMILES: C1(C#N)SC(C)=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.