3-Bromo-5-chloropyrazin-2-amine

HCID 10488609CAS 76537-18-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ncc(Cl)nc1Br
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
Summenformel: C4H3BrClN3
Durchschnittliche Molmasse: 208,44 g/mol
Monoisotopische Masse: 206,91989

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-chloropyrazin-2-amine
IUPAC: 3-bromo-5-chloropyrazin-2-amine
Englischer Name: 2-Amino-3-bromo-5-chloropyrazine
Summenformel: C4H3BrClN3
Molmasse: 208.44

Namen und Synonyme

3-bromo-5-chloropyrazin-2-amineRefChem:498871810-093-776537-18-32-AMINO-3-BROMO-5-CHLOROPYRAZINE2-Pyrazinamine,3-bromo-5-chloro-MFCD09909643Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloro-pyrazin-2-ylamineSCHEMBL116061DTXSID30440738CS-D0361

Weitere Namen anzeigen

2-amine-3-bromo-5-chloropyrazin3-Bromo-5-chloro-2-aminopyrazine2-Pyrazinamine, 3-bromo-5-chloro-3-Bromo-5-chloropyrazin-2-ylamine2-AMINO-3-BROMO-5-CHLOROPYRAZINE ISO 9001：2015 REACH

3-bromo-5-chloro-pyrazin-2-amineAmino-3-bromo-5-chloropyrazineSCHEMBL29892904AKOS015854860AB54749AS-18539SY034394EN300-108271

Datenbank-Bezeichner

CAS: 76537-18-3
PubChem CID: 10488609
DTXSID: DTXSID30440738
EC Number: 810-093-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Siedepunkt: 298.4 · 298.4±35.0 °C(Predicted)
Dichte: 1.96 · 1.96
Brechungsindex: 1.66 · 1.66
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.89 · 0.89±0.10(Predicted)
InChI: InChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKey: ACFBUXHJONGLLF-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)N=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, 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 2 reports by companies from 2 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.