Crotononitril

2-Butenenitrile

HCID 20913CAS 4786-20-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC=CC#N
InChIKey
NKKMVIVFRUYPLQ-UHFFFAOYSA-N
Summenformel
C4H5N
Durchschnittliche Molmasse
67,09 g/mol
Monoisotopische Masse
67,04219916

Namen und Bezeichner

Bevorzugter Name
2-Butenenitrile
IUPAC
but-2-enenitrile
Lokaler Name
Crotononitril
Englischer Name
Crotononitrile (pract)
Summenformel
C4H5N
Molmasse
67.09

Namen und Synonyme

DTXSID00636041Cyanopropene1Propenyl cyanidebetaMethylacrylonitrileRefChem:467972DTXCID60405872-butenenitrilebut-2-enenitrile4786-20-3trans-Crotononitrile (contains ca. 20% cis- isomer)SCHEMBL100573SCHEMBL269866
Weitere Namen anzeigen
CROTONONITRILECROTONITRILE(2E)-2-Butenenitriletrans-Crotononitrilee (pract)CrotonnitrileCrotononitriL1-CYANOPROPENE
SCHEMBL5048806SCHEMBL5162526SCHEMBL6576463AKOS025243186trans-Crotononitrile, inverted exclamation markO75%,contains ca. 20% cis-isomer

Datenbank-Bezeichner

CAS
4786-20-3
PubChem CID
20913
DTXSID
DTXSID0063604
EC Number
225-335-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Nitriles

Flammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point
Flash Point16 °C
Vapor Pressure32.0 [mmHg]
Physical DescriptionSoluble in water (25 g/L at 25 deg C); [ChemIDplus] Slightly yellow clear liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
-51.5 °C · -51.5°C
Siedepunkt
120 · 120-121 °C(lit.)
Dichte
0.824 g/mL · 0.824 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.419(lit.)
Flammpunkt
17 °C · 17 °C
storage temp.
Flammables area

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Crotonic acid nitrile: Does not have an individual approval but may be used under an appropriate group standard

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.)

Hazards Summary · 1 Eintrag

Corrosive to skin and eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Causes lacrimation and may cause chemical pneumonitis and pulmonary edema after inhalation of high concentrations; May cause liver injury; [MSDSonline] See NITRILES.

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (99.5%)

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

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2924 3/PG 2
hs_code
29269090
RTECS-Nr.
GQ6322000
risk_code
11-22-36/37/38-26-16

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Butenenitrile: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Zugehörige Reaktionen

21
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…