Isopropylnitrit

Isopropyl nitrite

HCID 10929CAS 541-42-4

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Grundinformationen

Standard-SMILES: CC(C)ON=O
InChIKey: SKRDXYBATCVEMS-UHFFFAOYSA-N
Summenformel: C3H7NO2
Durchschnittliche Molmasse: 89,09 g/mol
Monoisotopische Masse: 89,04767846

Namen und Bezeichner

Bevorzugter Name: Isopropyl nitrite
IUPAC: propan-2-yl nitrite
Lokaler Name: Isopropylnitrit
Englischer Name: Isopropyl nitrite
Summenformel: C3H7NO2
Molmasse: 89.09

Namen und Synonyme

Isopropyl nitrite541-42-42-Propanol nitrite2T3Y2PS0ZEDTXSID3052191RefChem:149832DTXCID8030762208-779-0propan-2-yl nitriteNitrous acid, 1-methylethyl esterISOPROPYLNITRITENITROUS ACID, ISOPROPYL ESTER

Weitere Namen anzeigen

2-propyl nitriteIsopropylnitrit2-propanolnitriteIsopropyl nitritel1-methylethylnitrite2-(Nitrosooxy)propaneIsopropyl nitrite (VAN)nitrousacidisopropylester

EINECS 208-779-0UNII-2T3Y2PS0ZEIsopropylester kyseliny dusite [Czech]Nitrous acid isopropyl esterBRN 1698878Isopropylester kyseliny dusiteNitrous acid 1-methylethyl esteriso-Propyl nitrite

Datenbank-Bezeichner

CAS: 541-42-4
PubChem CID: 10929
DTXSID: DTXSID3052191
UNII: 2T3Y2PS0ZE
EC Number: 208-779-0
Nikkaji: J23.978J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 44,1

Physikochemische Eigenschaften

Siedepunkt: 39 ℃ · 39℃
Dichte: 1.02 · 1.02
Dampfdruck: 57.595 · 57.595-61.088kPa at 25℃
Brechungsindex: 20 · nD20 1.3520
Flammpunkt: -37 ℃ · -37℃
InChI: InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3
InChIKey: SKRDXYBATCVEMS-UHFFFAOYSA-N
SMILES: N(=O)OC(C)C
LogP: 1.79 · 1.79
EPA chemische Informationen: 1 · Nitrous acid, 1-methylethyl ester (541-42-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

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

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27601

Isopropyl nitrite: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Serious eye damage/eye irritation - Category 1