Thiophen-2-carbonitril

2-Thiophenecarbonitrile

HCID 66087CAS 1003-31-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#Cc1cccs1
InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N
Summenformel: C5H3NS
Durchschnittliche Molmasse: 109,15 g/mol
Monoisotopische Masse: 108,9986201

Überblick

2-Thiophenecarbonitrile has been reported in Capparis spinosa with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Thiophenecarbonitrile
IUPAC: thiophene-2-carbonitrile
Lokaler Name: Thiophen-2-carbonitril
Englischer Name: 2-Thiophenecarbonitrile
Summenformel: C5H3NS
Molmasse: 109.15

Namen und Synonyme

2-ThiophenecarbonitrileThiophene-2-carbonitrile2-ThenylcyanideEINECS 213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-DTXSID10143114RefChem:89464DTXCID9065605213-706-0CUPOOAWTRIURFT-UHFFFAOYSA-NInChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H1003-31-2

Weitere Namen anzeigen

TH-CN2-Thienonitrile2-Thienyl cyanide2-Thiophenenitrlie2-Thiophenecarbonitr2-Thienylcarbonitrile

2-CyanothiopheneMFCD00005416Thiophenecarbonitrile2-Thiophene carbonitrile2-thenonitrile2-thiophenenitrile2-cyano-thiophene2-Thiophenonitrile

Datenbank-Bezeichner

CAS: 1003-31-2
PubChem CID: 66087
DTXSID: DTXSID10143114
ChEMBL: CHEMBL2229531
EC Number: 213-706-0
Nikkaji: J147.941E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 102

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesElectric dipole moment

LogP1.34

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-134 °C (decomp)
Siedepunkt: 192 °C · 192 °C(lit.)
Dichte: 1.172 g/mL · 1.172 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.563(lit.)
Flammpunkt: 128 °F · 128 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.172 · 1.172
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Slightly miscible with water.
BRN: 107035 · 107035
InChI: 1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N
SMILES: N#Cc1cccs1
LogP: 1.27 · 1.270
CAS Datenbank: 1003 · 1003-31-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Thiophenecarbonitrile(1003-31-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (92%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (92%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10-22-37/38-41-20/21/22-36/37/38
hazard_code: Xn,Xi,F
hazard_note: Harmful
safety_code: 26-39-36/37-16-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Thiophenecarbonitrile (2-Cyanothiophene) was used in the preparation of thiaplatinacycles. It was also used in the synthesis of 2,2′-thienylpyrroles.