6-Iodopyridazin-3-amine
Grundinformationen
- CAS
187973-60-0- Standard-SMILES
Nc1ccc(I)nn1- InChIKey
QHEUBRHRIJMZOR-UHFFFAOYSA-N- Summenformel
- C4H4IN3
- Durchschnittliche Molmasse
- 221 g/mol
- Monoisotopische Masse
- 220,94499
Namen und Bezeichner
- Bevorzugter Name
- 6-Iodopyridazin-3-amine
- IUPAC
- 6-iodopyridazin-3-amine
- Englischer Name
- 6-iodopyridazin-3-amine
- Summenformel
- C4H4IN3
- Molmasse
- 221
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
187973-60-0- PubChem CID
- 10867834
- DTXSID
DTXSID30446472- EC Number
- 870-361-4
- Nikkaji
- J1.302.741B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 77
Physikochemische Eigenschaften
- Siedepunkt
- 399.6 · 399.6±27.0 °C(Predicted)
- Dichte
- 2.204 · 2.204
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 4.24 · 4.24±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- Pale yellow
- InChI
- InChI=1S/C4H4IN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
- InChIKey
- QHEUBRHRIJMZOR-UHFFFAOYSA-N
- SMILES
- C1(N)=NN=C(I)C=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): 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+P354+P338, P317, P319, P321, P330, P332+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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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
Sicherheitsdaten
- hs_code
- 2933998090
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