4-Methylimidazol-5-ylmethanolhydrochlorid

4-Methylimidazol-5-ylmethanolhydrochloride

HCID 3084707CAS 38585-62-5

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Grundinformationen

Standard-SMILES: Cc1[nH]cnc1CO.Cl
InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N
Summenformel: C5H9ClN2O
Durchschnittliche Molmasse: 148,59 g/mol
Monoisotopische Masse: 148,04034059

Namen und Bezeichner

Bevorzugter Name: 4-Methylimidazol-5-ylmethanolhydrochloride
IUPAC: (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride
Lokaler Name: 4-Methylimidazol-5-ylmethanolhydrochlorid
Englischer Name: 4-Methyl-5-imidazolemethanol hydrochloride
Summenformel: C5H9ClN2O
Molmasse: 148.59

Namen und Synonyme

38585-62-54-Methylimidazol-5-ylmethanolhydrochlorideEINECS 254-021-7DTXSID40191906RefChem:99893DTXCID40114397254-021-7(4-methyl-1H-imidazol-5-yl)methanol hydrochloride4-Methyl-5-imidazolemethanol hydrochloride4-Hydroxymethyl-5-methylimidazole Hydrochloride(5-methyl-1H-imidazol-4-yl)methanol hydrochlorideMFCD00040986

Weitere Namen anzeigen

5(4)-METHYL-4(5)-IMIDAZOLE METHANOL4-Methyl-5-HydroxymethylimidazoleHCl4-Hydroxymethyl-5-methylimidazole HCl5-METHYL-4-HYDROXYMETHYL IMIDAZOLE HCLCimetidine Impurity I as Hydrochloride4-Methyl-5-imidazolemethanol Hydrochlori4-Methyl-5-imidazolemethanolhydrochilride4-Methyl-5-imidazolemethanol hydrochlirde

4-Methyl-5-imidazolemethanol HCl4-methyl-5-hydroxymethylimidazole hydrochloride5-Hydroxymethyl-4-methylimidazole hydrochloride4-Methyl-(5-hydroxymethyl)imidazole hydrochloride5-Hydroxymethyl-4-methylimidazole HCl(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride4-Methyl-5-hydroxymethylimidazole, HClAKOS005216608

Datenbank-Bezeichner

CAS: 38585-62-5
PubChem CID: 3084707
DTXSID: DTXSID40191906
EC Number: 254-021-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 48,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 76,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Imidazoles

Physical DescriptionBeige granules; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 233 °C · 233 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: Very slightly beige
InChI: 1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H
InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N
SMILES: Cl.Cc1[nH]cnc1CO
CAS Datenbank: 38585 · 38585-62-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; [Synthonix MSDS] See 2-Methylimidazole.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Methyl-5-imidazolemethanol hydrochloride was used in the synthesis of 1,3-bis(5-methyl-4-imidazolyl)-2-thiapropane (tridentate ligand).