Pent-4-ennitril

4-Pentenenitrile

HCID 11604CAS 592-51-8
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Grundinformationen

Standard-SMILES
C=CCCC#N
InChIKey
CFEYBLWMNFZOPB-UHFFFAOYSA-N
Summenformel
C5H7N
Durchschnittliche Molmasse
81,12 g/mol
Monoisotopische Masse
81,05784922

Überblick

4-pentenenitrile has been reported in Brassica napus with data available.

Namen und Bezeichner

Bevorzugter Name
4-Pentenenitrile
IUPAC
pent-4-enenitrile
Lokaler Name
Pent-4-ennitril
Englischer Name
4-Pentenenitrile
Summenformel
C5H7N
Molmasse
81.12

Namen und Synonyme

4-PENTENENITRILE592-51-8Allylacetonitrile3-Butenyl cyanide1-Cyano-3-butene4-Cyano-1-butene4-PentenonitrileAllylmethyl cyanide4-Pentenoic acid, nitrileDTXSID002722889HYM37372DTXCID907228
Weitere Namen anzeigen
3-butenylcyanideallylmethylcyanide4-Pentenenitrile>4-Pentenenitrile 97%
4 pentenenitrileRefChem:526246209-762-0pent-4-enenitrileMFCD00151259HSDB 5709EINECS 209-762-0UNII-89HYM37372

Datenbank-Bezeichner

CAS
592-51-8
PubChem CID
11604
DTXSID
DTXSID0027228
ChEMBL
CHEMBL1595985
UNII
89HYM37372
EC Number
209-762-0
Nikkaji
J45.897J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesOptical coefficient
Density0.8239 AT 24 °C
SolubilityINSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER
Boiling Point140 °C
Vapor Pressure6.36 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
138 · 138-139 °C
Siedepunkt
140 °C · 140 °C (lit.)
Dichte
0.814 g/mL · 0.814 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.42(lit.)
Flammpunkt
140 °F · 140 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

4-Pentenenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pentenenitrile are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazards Summary · 1 Eintrag

Emergency treatment: Isobutyronitrile; Isobutyronitrile releases cyanide after being absorbed into the body; Causes liver injury in animal studies; [HSDB] Causes respiratory depression and changes to the liver in lethal dose studies of rats; [RTECS] An irritant; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

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.
Toxicity DataLC50 (rat) = 2,550 ppm/4h

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3275 6.1/PG 2
hs_code
2926.90.5050
risk_code
20/21/22
hazard_code
Xn

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as an unisolated chemical intermediate in the production of adiponitrile; [HSDB]

UNISOLATED CHEM INT IN PRODN OF ADIPONITRILE

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 3 Einträge

2023: 8,500,000 - <25,000,000 lb

(1979) NOT ISOLATED COMMERCIALLY IN U.S.

(1981) NOT ISOLATED COMMERCIALLY IN U.S.

Industry UsesIntermediate
Methods of ManufacturingREACTION OF BUTADIENE WITH HYDROGEN CYANIDE PRODUCES A MIXTURE OF 3- & 4-PENTENENITRILE ISOMERS-NO EVIDENCE THAT THE MIXT IS COMMERCIALLY SEPARATED

Anwendungen

Verwenden4-Pentenenitrile may be used to synthesize 4-pentenylamine.

Vor- und nachgelagerte Produkte

Anbieter33 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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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