5-Bromo-1-methyl-1H-imidazole

HCID 1515258

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Grundinformationen

CAS: 1003-21-0
Standard-SMILES: Cn1cncc1Br
InChIKey: HATLLUIOEIXWGD-UHFFFAOYSA-N
Summenformel: C4H5BrN2
Durchschnittliche Molmasse: 161 g/mol
Monoisotopische Masse: 159,96361026

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-1-methyl-1H-imidazole
IUPAC: 5-bromo-1-methylimidazole
Englischer Name: 5-Bromo-1-methyl-1H-imidazole
Summenformel: C4H5BrN2
Molmasse: 161

Namen und Synonyme

5-Bromo-1-methyl-1H-imidazole1003-21-0DTXSID60363926RefChem:301432DTXCID00314972629-338-25-Bromo-1-methylimidazole1H-Imidazole, 5-bromo-1-methyl-MFCD016322185-bromo-1-methyl-imidazole5-bromo-N-methyl-imidazole5-bromo-1-methyl imidazole

Weitere Namen anzeigen

1289785-Bromo-1-methyL5-BROMO-N-METHYLIMIDAZOLE5-Bromo-1-methylimidazole,97%1H-Imidazole,5-bromo-1-methyl-5-BroMo-1-Methyl-1H-iMidazole 97%

SCHEMBL3081021H-Imidazole, 5-bromo-1-methyl-;AMY3032ST054349imidazole, 5-bromo-1-methyl-SCHEMBL2038849SCHEMBL2045767HATLLUIOEIXWGD-UHFFFAOYSA-

Datenbank-Bezeichner

CAS: 1003-21-0
PubChem CID: 1515258
DTXSID: DTXSID60363926
EC Number: 629-338-2
Nikkaji: J465.886H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 66,7

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-44 °C (lit.)
Siedepunkt: 120 °C · 120°C 15mm
Dichte: 1.69 · 1.69±0.1 g/cm3(Predicted)
Flammpunkt: 180 °F · 180 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 5.25 · 5.25±0.10(Predicted)
Aggregatzustand: crystals
Farbe: Colourless/white
InChI: InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChIKey: HATLLUIOEIXWGD-UHFFFAOYSA-N
SMILES: C1N(C)C(Br)=CN=1
CAS Datenbank: 1003 · 1003-21-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.7%): 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29332900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-1-methyl-1H-imidazole is an ether that inhibits the farnesyltransferase enzyme. It also inhibits the activity of other enzymes such as dimethyl dioxan disulphide and alkylation inhibitors.