3-Bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one
Grundinformationen
- CAS
1049706-72-0- Standard-SMILES
Cc1c([N+](=O)[O-])c[nH]c(=O)c1Br- InChIKey
JJTIUCLTXGGQCH-UHFFFAOYSA-N- Summenformel
- C6H5BrN2O3
- Durchschnittliche Molmasse
- 233,02 g/mol
- Monoisotopische Masse
- 231,94835412
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one
- IUPAC
- 3-bromo-4-methyl-5-nitro-1H-pyridin-2-one
- Englischer Name
- 3-Bromo-4-methyl-5-nitropyridin-2-ol
- Summenformel
- C6H5BrN2O3
- Molmasse
- 233.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1049706-72-0- PubChem CID
- 40151914
- DTXSID
DTXSID20653951- EC Number
- 837-845-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 74,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 313
Physikochemische Eigenschaften
- Siedepunkt
- 301.8 · 301.8±42.0 °C(Predicted)
- Dichte
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.61 · 6.61±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Darstellung
synthetische3-bromo-4-methyl-5-nitropyridin-2-ol synthesis: 4-Methyl-5-nitropyridin-2-ol (104.5 g, 0.68 mol) was suspended in AcOH (1000 mL) and bromine (208 mL, 6 eq) was added dropwise in 1.5 h. The mixture was stirred for 5 min, the poured into icewater (2000 mL) and stirred for 1 h. The resulting suspension was filtered and the residue was washed with water (3*100 mL), dried in vacuo and then stripped with toluene (2*500 mL) and CH3CN (500 mL). This afforded 3-bromo-4-methyl-5-nitropyridin-2-ol as a yellow solid (143.8 g, 91%).
Anbieter43 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…