Crotononitrile

HCID 637921

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Grundinformationen

CAS: 4786-20-3
Standard-SMILES: C/C=C/C#N
InChIKey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N
Summenformel: C4H5N
Durchschnittliche Molmasse: 67,09 g/mol
Monoisotopische Masse: 67,04219916

Überblick

Crotononitrile is a nitrile.

Namen und Bezeichner

Bevorzugter Name: Crotononitrile
IUPAC: (E)-but-2-enenitrile
Englischer Name: (2E)-2-Butenenitrile
Summenformel: C4H5N
Molmasse: 67.09

Namen und Synonyme

CROTONONITRILERefChem:579468225-335-1627-26-9Crotonnitrile(E)-but-2-enenitrile4786-20-3Crotonic nitrile1-Cyanopropene(E)-2-Butenenitrile1-Propenyl cyanideCrotonique nitrile

Weitere Namen anzeigen

2-Butenenitrile, (2E)- (9CI)trans-Crotononitrile (contains ca. 20% cis- isomer)trans-2-Butenenitriletrans-Crotononitrile (contains ca. 20% cis- isomers)trans-Crotononitrile (contains ca. 20% cis- isomer) >trans-Crotononitrile (contains ca. 20% cis- isomer)

trans-Crotononitrile(2E)-but-2-enenitrilebeta-Methylacrylonitrile2-Butenenitrile, (E)-Crotonique nitrile [French]NSC 165574(2E)-2-ButenenitrileEINECS 225-335-1

Datenbank-Bezeichner

CAS: 4786-20-3、627-26-9
PubChem CID: 637921
DTXSID: DTXSID801026544
ChEMBL: CHEMBL4748537
ChEBI: CHEBI:191223
UNII: E74GS2HL23
EC Number: 225-335-1、811-029-0
Nikkaji: J42.317C、J512F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 72,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: -51.15 °C · -51.15°C
Siedepunkt: 108.92 °C · 108.92°C (estimate)
Dichte: 0.807 · 0.8070
Brechungsindex: 1.419 to · 1.4190 to 1.4220
Flammpunkt: 16 °C · 16°C(lit.)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Dielectric constant: 28.1 · 28.100000000000001
CAS Datenbank: 627 · 627-26-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, 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 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 05-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25843

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (99.5%)

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 1st degree