Nitrocyclopentan

Nitrocyclopentane

HCID 75714CAS 2562-38-1

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Grundinformationen

Standard-SMILES: O=[N+]([O-])C1CCCC1
InChIKey: CJSZWOGCKKDSJG-UHFFFAOYSA-N
Summenformel: C5H9NO2
Durchschnittliche Molmasse: 115,13 g/mol
Monoisotopische Masse: 115,06332853

Namen und Bezeichner

Bevorzugter Name: Nitrocyclopentane
IUPAC: nitrocyclopentane
Lokaler Name: Nitrocyclopentan
Englischer Name: Nitrocyclopentane
Summenformel: C5H9NO2
Molmasse: 115.13

Namen und Synonyme

NitrocyclopentaneCyclopentane, nitro-CCRIS 5057EINECS 219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-DTXSID00180295RefChem:166089DTXCID10102786219-884-6CJSZWOGCKKDSJG-UHFFFAOYSA-NInChI=1/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H22562-38-1

Weitere Namen anzeigen

nitro-cyclopentan1-NitrocyclopentaneNITROCYCLOPENTANE, 97+%Nitrocyclopentane (NCyP)NITROCYCLOPENTANE ISO 9001：2015 REACH(1S,2S)-Methyl 2-aMinocyclopropanecarboxylate

NitrocyclopentaseMFCD00001362nitro-cyclopentaneNitrocyclopentane, 99%SCHEMBL264764SCHEMBL498638SCHEMBL7184730SCHEMBL8781626

Datenbank-Bezeichner

CAS: 2562-38-1
PubChem CID: 75714
DTXSID: DTXSID00180295
EC Number: 219-884-6
Nikkaji: J109.347I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 91,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-144 °C
Siedepunkt: 180 °C · 180 °C (lit.)
Dichte: 1.086 g/mL · 1.086 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.454(lit.)
Flammpunkt: 153 °F · 153 °F
pka: 8.46 · 8.46±0.20(Predicted)
Aggregatzustand: liquid
BRN: 907079 · 907079
InChI: 1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
InChIKey: CJSZWOGCKKDSJG-UHFFFAOYSA-N
SMILES: [O-][N+](=O)C1CCCC1
CAS Datenbank: 2562 · 2562-38-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (13.3%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29042000
RTECS-Nr.: GY4657500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischeBromocyclopentane (22.0 g, 0.15 mol) was added to a soln of NaNO2 (18 g, 0.26 mol) in dry DMSO (100 mL) at 15 ℃ and the mixture was stirred at this temperature for 3 h. The mixture was poured into ice water (250 mL) and extracted with petroleum ether (bp 35-37 ℃; 4 × 50 mL). The combined organic extracts were washed with H2O (4× 50 mL), dried (MgSO4), and concentrated under reduced pressure. The residue was distilled to give Nitrocyclopentane; yield: 9.9 g (58%); bp 62 ℃/8 Torr; nD/20 1.4538. Synthesis of Nitrocyclopentane