4-Bromo-1,2-dimethyl-1H-imidazole

HCID 7204875

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Grundinformationen

CAS: 850429-59-3
Standard-SMILES: Cc1nc(Br)cn1C
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
Summenformel: C5H7BrN2
Durchschnittliche Molmasse: 175,03 g/mol
Monoisotopische Masse: 173,97926

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1,2-dimethyl-1H-imidazole
IUPAC: 4-bromo-1,2-dimethylimidazole
Englischer Name: 4-Bromo-1,2-dimethyl-1H-imidazole
Summenformel: C5H7BrN2
Molmasse: 175.03

Namen und Synonyme

4-Bromo-1,2-dimethyl-1H-imidazole850429-59-3DTXSID10428397RefChem:290420DTXCID30379231691-828-74-bromo-1,2-dimethylimidazoleMFCD066599011H-Imidazole, 4-bromo-1,2-dimethyl-SCHEMBL1044474-bromo-1,2-dimethyl-imidazoleAKOS002657980

Weitere Namen anzeigen

1H-IMidazole,4-broMo-1,2-diMethyl-QUINO4-BROMO-1,2-DIMETHYL-1H-IMIDAZOLE

AB26584AS-39505AM804400SY025017CS-0038736EN300-1010754-Bromo-1,2-dimethyl-1H-imidazole, AldrichCPRF433429

Datenbank-Bezeichner

CAS: 850429-59-3
PubChem CID: 7204875
DTXSID: DTXSID10428397
EC Number: 691-828-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 86

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-44
Siedepunkt: 266.6 · 266.6±13.0℃ (760 Torr)
Dichte: 1.58 · 1.58±0.1 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 115 · 115.0±19.8℃
storage temp.: 2 · 2-8°C
pka: 4.96 · 4.96±0.60(Predicted)
Aggregatzustand: solid
Farbe: Light Brown
InChI: 1S/C5H7BrN2/c1-4-7-5(6)3-8(4)2/h3H,1-2H3
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
SMILES: Cc1nc(Br)cn1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933299090
risk_code: 22
hazard_code: Xi,Xn
hazard_note: Irritant
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral