Allyl isocyanate

HCID 15123

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Grundinformationen

CAS: 1476-23-9
Standard-SMILES: C=CCN=C=O
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
Summenformel: C4H5NO
Durchschnittliche Molmasse: 83,09 g/mol
Monoisotopische Masse: 83,03711378

Überblick

Allyl isocyanate is a member of isocyanates.

Namen und Bezeichner

Bevorzugter Name: Allyl isocyanate
IUPAC: 3-isocyanatoprop-1-ene
Englischer Name: ALLYL ISOCYANATE
Summenformel: C4H5NO
Molmasse: 83.09

Namen und Synonyme

Allyl isocyanate1476-23-93-isocyanatoprop-1-ene1-Propene, 3-isocyanato-3-Isocyanato-1-propeneISOCYANIC ACID, ALLYL ESTERDK4CJU9MCXNSC-96964DTXSID8061719RefChem:110873DTXCID3034797629-197-7

Weitere Namen anzeigen

ALLYL ISOCYATEisocyanated’allyle3-isocyanato-1-propen1-propene,3-isocyanato-isocyanicacid,allylesterisocyanate isocyanate d'allyle

ALLylisoCYANATEPropene, 3-isocyanato-MFCD000020442-propenyl isocyanateNSC 96964BRN 0506106prop-2-enisocyanateUNII-DK4CJU9MCX

Datenbank-Bezeichner

CAS: 1476-23-9
PubChem CID: 15123
DTXSID: DTXSID8061719
ChEBI: CHEBI:192403
UNII: DK4CJU9MCX
EC Number: 629-197-7
Nikkaji: J27.134I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 81,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDielectric constant

Physikochemische Eigenschaften

Siedepunkt: 87 · 87-89 °C(lit.)
Dichte: 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.417(lit.)
Flammpunkt: 110 °F · 110 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Wichte: 0.94 · 0.94
Farbe: yellow
Wasserlöslichkeit: Hydrolyzes in water.
BRN: 506106 · 506106
InChI: 1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
SMILES: C=CCN=C=O
CAS Datenbank: 1476 · 1476-23-9(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propene, 3-isocyanato- (1476-23-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (90.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (90.9%)

Sicherheitsdaten

F: 9-21-19
wgk: 3
tsca: TSCA listed
ridadr: UN 3080 6.1/PG 2
hs_code: 29291090
RTECS-Nr.: NQ8175000
risk_code: 36/37/38-42-34-23/24/25-10-42/43
Toxizität: mouse,LD50,intravenous,18mg/kg (18mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03769,
hazard_code: Xn,T
safety_code: 23-26-36/37/39-45
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propene, 3-isocyanato-: ACTIVE

Anwendungen

VerwendenIt finds its application in the synthesis, characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels and their in vitro release of albumin.