1H-Imidazole, 4-bromo-

HCID 96125

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 2302-25-2
Standard-SMILES: Brc1cnc[nH]1
InChIKey: FHZALEJIENDROK-UHFFFAOYSA-N
Summenformel: C3H3BrN2
Durchschnittliche Molmasse: 146,97 g/mol
Monoisotopische Masse: 145,94796

Namen und Bezeichner

Bevorzugter Name: 1H-Imidazole, 4-bromo-
IUPAC: 5-bromo-1H-imidazole
Englischer Name: 4-Bromo-1H-imidazole
Summenformel: C3H3BrN2
Molmasse: 146.97

Namen und Synonyme

4-Bromo-1H-imidazole2302-25-24-Bromoimidazole1H-Imidazole, 4-bromo-Imidazole, 4-bromo-4(or 5)-BromoimidazoleDTXSID50177574NSC 54254NSC 227280RefChem:438298Imidazole, 4-bromo-(8CI)DTXCID10100065

Weitere Namen anzeigen

4-bromo-imidazol4-Bromine imidazole4-bromo-1h-imidazol4(5)-BROMO IMIDAZOLE4(or5)-bromoimidazole4(or5)-bromo-imidazol4-Bromoimidazole 98+

Imidazole, 4(or 5)-bromo-(6CI,7CI)627-452-75-bromo-1H-imidazole1H-Imidazole, 5-bromo-5-bromoimidazoleMFCD00047021B9S8CMG5ADImidazole, 4(or 5)-bromo-

Datenbank-Bezeichner

CAS: 2302-25-2
PubChem CID: 96125
DTXSID: DTXSID50177574
ChEMBL: CHEMBL1232569
UNII: B9S8CMG5AD
EC Number: 627-452-7
Nikkaji: J103.201A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 48

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-135 °C (lit.)
Siedepunkt: 324.7 · 324.7±15.0 °C(Predicted)
Dichte: 1.904 · 1.904±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: soluble in Dimethylformamide
pka: 11.7 · 11.70±0.10(Predicted)
Aggregatzustand: Crystalline Flakes or Powder
Farbe: Colorless to beige
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey: FHZALEJIENDROK-UHFFFAOYSA-N
SMILES: C1NC(Br)=CN=1
CAS Datenbank: 2302 · 2302-25-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (95.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 8 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 CategoriesAcute Tox. 3 (95.7%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (93.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339900
RTECS-Nr.: NI3517450
risk_code: 25-36/37/38
Toxizität: rat,LD50,oral,250mg/kg (250mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)GASTROINTESTINAL: OTHER CHANGES,Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.
hazard_code: T
hazard_note: Irritant
safety_code: 26-36-45-37/39-28A
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3