4,5-Dihydro-1H-imidazol

2-Imidazoline

HCID 68156CAS 28299-33-4

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Grundinformationen

Standard-SMILES: C1=NCCN1
InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N
Summenformel: C3H6N2
Durchschnittliche Molmasse: 70,09 g/mol
Monoisotopische Masse: 70,0530982

Namen und Bezeichner

Bevorzugter Name: 2-Imidazoline
IUPAC: 4,5-dihydro-1H-imidazole
Lokaler Name: 4,5-Dihydro-1H-imidazol
Englischer Name: 4,5-dihydro-1H-imidazole
Summenformel: C3H6N2
Molmasse: 70.09

Namen und Synonyme

4,5-Dihydro-1H-imidazoleimidazoline2-Imidazoline504-75-61H-Imidazole, 4,5-dihydro-D36R5YLK6RCORBAN 210WSDTXSID2060127CHEBI:53094RefChem:473552DTXCID5040835DTXSID10894831

Weitere Namen anzeigen

207-999-428299-33-41H-Imidazole, dihydro-UNII-D36R5YLK6REINECS 207-999-44,5-dihydroimidazoleSCHEMBL2438SCHEMBL3144

Datenbank-Bezeichner

CAS: 28299-33-4、504-75-6
PubChem CID: 68156
DTXSID: DTXSID2060127
ChEBI: CHEBI:53094
UNII: D36R5YLK6R
EC Number: 207-999-4
Nikkaji: J182.256J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 24,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 48

Physikochemische Eigenschaften

Schmelzpunkt: 55 °C · 55°C
Siedepunkt: 111.55 °C · 111.55°C (rough estimate)
Dichte: 0.8304 · 0.8304 (rough estimate)
Brechungsindex: 1.4796 · 1.4796 (estimate)
pka: 10.9 · 10.90±0.40(Predicted)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro- (504-75-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Repr. 2 (100%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Imidazole, 4,5-dihydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4,5-Dihydro-1H-imidazole possesses inhibition effect on the crevice corrosion of N80 carbon steel; Also, it is derived from Formamide (F691480), which is a compound that is used in biochemistry to prevent RNA samples from degradation due to RNAses. Formamide is also used as a plasticizer to prepare thermoplastic starch (TPS), a special type of starch that can be mixed with other synthetic polymers because of its unique ability to “flow”.