2-Thienylacetonitril

2-Thienylacetonitrile

HCID 72880CAS 20893-30-5
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Grundinformationen

Standard-SMILES
N#CCc1cccs1
InChIKey
CLSHQIDDCJTHAJ-UHFFFAOYSA-N
Summenformel
C6H5NS
Durchschnittliche Molmasse
123,18 g/mol
Monoisotopische Masse
123,01427016

Überblick

2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It is functionally related to an acetonitrile.

Namen und Bezeichner

Bevorzugter Name
2-Thienylacetonitrile
IUPAC
2-thiophen-2-ylacetonitrile
Lokaler Name
2-Thienylacetonitril
Englischer Name
2-Thiopheneacetonitrile
Summenformel
C6H5NS
Molmasse
123.18

Namen und Synonyme

2-Thiopheneacetonitrile20893-30-52-ThienylacetonitrileThiophene-2-acetonitrile2-(Cyanomethyl)thiophene2-cyanomethylthiophenethiophen-2-yl-acetonitrileDTXSID5066663CHEBI:27382EINECS 244-104-6AI3-08540EC 244-104-6
Weitere Namen anzeigen
thiophen-2-acetonitrile2-(2-Thienyl)acetonitrile2-Thiopheneacetonitrile 97%2-Thiopheneacetonitrile,96%Thiophene-2-acetonitrile >
RefChem:483737DTXCID5036395244-104-62-(Thiophen-2-yl)acetonitrile2-thiophen-2-ylacetonitrileC6H5NSThien-2-ylacetonitrileMFCD00005453

Datenbank-Bezeichner

CAS
20893-30-5
PubChem CID
72880
DTXSID
DTXSID5066663
ChEBI
CHEBI:27382
UNII
3CSN23QD57
EC Number
244-104-6
Nikkaji
J25.372C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
52 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
8

Physikochemische Eigenschaften

Schmelzpunkt
50 · 50-51 °C
Siedepunkt
115 · 115-120 °C/22 mmHg (lit.) 235-238 °C (lit.)
Dichte
1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.542(lit.)
Flammpunkt
215 °F · 215 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, 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 153 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12193
Hazard Classes and CategoriesAcute Tox. 3 (69.9%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3276 6.1/PG 3
hs_code
29349990
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi,T

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Thiopheneacetonitrile: ACTIVE

Anwendungen

Verwenden2-Thiopheneacetonitrile was used as reagent during the synthesis of monodisperse Au/Au@polythiophene core/shell nanospheres.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It derives from an acetonitrile.

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