Pentylnitrit ,,Amylnitrit''

AMYL NITRITE · N-AMYL NITRITE · N-PENTYL NITRITE · itramyl · Nitramyl · PENTYL NITRITE · AmylNitrite>N-Phenyl nitrile · TERT-NITROOCTANE

https://huagongshe.com/de/chemical/10026

Molekülstruktur von Pentylnitrit ,,Amylnitrit''

Identifikatoren & physikalische Daten

CAS No.	463-04-7
Summenformel	C5H11NO2
Durchschnittliche Molmasse	117,15 g/mol
Monoisotopische Masse	117,07897859 g/mol
SMILES	CCCCCON=O
InChIKey	CSDTZUBPSYWZDX-UHFFFAOYSA-N
PubChem CID	10026
ChEMBL	CHEMBL3188202
ChEBI	CHEBI:55344
EC No.	207-332-7
DTXSID	DTXSID3024522
Lokaler Name	Pentylnitrit ,,Amylnitrit''

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	38,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	8
Formalladung	0
Komplexität	56,4
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Dielectric constant
Geruch	Peculiar ethereal, fruity odor
Geschmack	Pungent, aromatic taste
Dichte	0.8817 g/cu cm at 20 °C0,86 g/cm3
Color/Form	Yellowish liquidClear, yellowish liquid
Löslichkeit	Slightly soluble in waterAlmost insoluble in waterMiscible with ethanol, ethyl ether3.97e+00 g/LDecomposes in contact with water,Practically insoluble in water3.97g/L
Siedepunkt	104.5 °C104-105°C
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Dampfdruck	3.97 mm Hg at 25 °C65 hPa (20 °C)
Brechungsindex	Index of refraction: 1.3851 at 20 °C/D1.3880-1.3910
Physical Description	Liquid
Dampfdichte	4
Flammpunkt	-40°C
Lagerbedingungen	Store at +2°C to +8°C.
Aggregatzustand	clear liquid
Farbe	Clear, yellowish liquid
Geruch	peculiar, ethereal, fruityodor and pungent, aromatic taste
Stabilität	Light Sensitive, Volatile
InChI	1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3
InChIKey	CSDTZUBPSYWZDX-UHFFFAOYSA-N
SMILES	CCCCCON=O
LogP (Verteilungskoeffizient)	2.85
CAS Datenbank	463-04-7(CAS DataBase Reference)
NIST chemische Informationen	Amyl nitrite(463-04-7)
EPA chemische Informationen	Amyl nitrite (463-04-7)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Status: Active Update: 11-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27436Amyl nitrite: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Nitrous acid, pentyl ester: Environment tier I assessment
Brandpotenzial	This chemical is a flammable liquid. /Amyl nitrites/Flammable when exposed to heat or flame or by spontaneous chemical reaction.
DOT Emergency Guidelines	/GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water./GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution./GUIDE 129 FLAMMABLE LIQUIDS (Water-Miscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind, uphill and/or upstream. Ventilate closed spaces before entering.