8-Bromo-1,7-naphthyridin-6-amine

HCID 10704335

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Grundinformationen

CAS: 5912-35-6
Standard-SMILES: Nc1cc2cccnc2c(Br)n1
InChIKey: VJKKBVMEHDGRAZ-UHFFFAOYSA-N
Summenformel: C8H6BrN3
Durchschnittliche Molmasse: 224,06 g/mol
Monoisotopische Masse: 222,97451

Namen und Bezeichner

Bevorzugter Name: 8-Bromo-1,7-naphthyridin-6-amine
IUPAC: 8-bromo-1,7-naphthyridin-6-amine
Englischer Name: 8-BROMO-1,7-NAPHTHYRIDIN-6-AMINE
Summenformel: C8H6BrN3
Molmasse: 224.06

Namen und Synonyme

8-bromo-1,7-naphthyridin-6-amine5912-35-6DTXSID50443761RefChem:106946DTXCID50394582800-165-66-Amino-8-bromo-1,7-naphthyridineMFCD097020348-Bromo-[1,7]naphthyridin-6-ylamine1,7-Naphthyridin-6-amine, 8-bromo-SCHEMBL1545191SCHEMBL30133417

Weitere Namen anzeigen

VJKKBVMEHDGRAZ-UHFFFAOYSA-N-Amino-8-bromo-1,7-naphthyridineFAA91235AKOS015834954BH-0712SY262259CS-0097955EN300-220254

Datenbank-Bezeichner

CAS: 5912-35-6
PubChem CID: 10704335
DTXSID: DTXSID50443761
EC Number: 800-165-6
Nikkaji: J1.676.690I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Schmelzpunkt: 181 °C · 181 °C
Siedepunkt: 407.2 · 407.2±40.0 °C(Predicted)
Dichte: 1.744 · 1.744±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.92 · 3.92±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.