Grundinformationen
- Standard-SMILES
Brc1cccnn1- InChIKey
ILYSUJOMLYXAOC-UHFFFAOYSA-N- Summenformel
- C4H3BrN2
- Durchschnittliche Molmasse
- 158,98 g/mol
- Monoisotopische Masse
- 157,94796
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromopyridazine
- IUPAC
- 3-bromopyridazine
- Englischer Name
- Pyridazine, 3-bromo- (9CI)
- Summenformel
- C4H3BrN2
- Molmasse
- 158.98
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
88491-61-6- PubChem CID
- 13126699
- DTXSID
DTXSID10520082- EC Number
- 811-583-3
- Nikkaji
- J1.002.398J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 57
Physikochemische Eigenschaften
- Schmelzpunkt
- 73 · 73-74 °C
- Siedepunkt
- 270 · 270.0±13.0 °C(Predicted)
- Dichte
- 1.726 · 1.726±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- solid
- pka
- 0.99 · 0.99±0.10(Predicted)
- Farbe
- Yellow to reddish brown
- InChI
- 1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
- InChIKey
- ILYSUJOMLYXAOC-UHFFFAOYSA-N
- SMILES
- BrC1=CC=CN=N1
- CAS Datenbank
- 88491 · 88491-61-6
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 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
Sicherheitsdaten
- hs_code
- 2933998090
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
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