5'-Bromo-2'-hydroxy-3'-nitroacetophenone
Grundinformationen
- CAS
70978-54-0- Standard-SMILES
CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O- InChIKey
CLNIBJASCGZXHH-UHFFFAOYSA-N- Summenformel
- C8H6BrNO4
- Durchschnittliche Molmasse
- 260,04 g/mol
- Monoisotopische Masse
- 258,94802
Namen und Bezeichner
- Bevorzugter Name
- 5'-Bromo-2'-hydroxy-3'-nitroacetophenone
- IUPAC
- 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone
- Englischer Name
- 5'-Bromo-2'-hydroxy-3'-nitroacetophenone
- Summenformel
- C8H6BrNO4
- Molmasse
- 260.04
Namen und Synonyme
5'-Bromo-2'-hydroxy-3'-nitroacetophenoneRefChem:527461628-114-170978-54-01-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone3-Bromo-6-hydroxy-5-nitroacetophenone1-(5-bromo-2-hydroxy-3-nitrophenyl)ethan-1-oneMFCD016311345-bromo-2-hydroxy-3-nitroacetophenoneAN-829/40882313AKOS0001123521-acetyl-5-bromo-2-hydroxy-3-nitrobenzene
Weitere Namen anzeigen
3-BROMO-6-HYDROXY-5-NITRO ACETOPHENONE5'-Bromo-2'-hydroxy-3'-nitroacetophenone >Ethanone, 1-(5-bromo-2-hydroxy-3-nitrophenyl)-5′-Bromo-2′-hydroxy-3′-nitroacetophenone, CAS 70978-54-0JRH-01018, 1-(5-Bromo-2-hydroxy-3-nitrophenyl)ethanone, 97%
1-{5-bromo-2-hydroxy-3-nitrophenyl}ethanoneEthanone, 1-(5-bromo-2-hydroxy-3-nitrophenyl)-SCHEMBL324659DTXSID70351031SBB102250AKOS015913472DS-3070SY076982
Datenbank-Bezeichner
- CAS
70978-54-0- PubChem CID
- 689071
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 83,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 252
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-132 °C(lit.)
- Siedepunkt
- 272.9 ℃ · 272.9℃
- Dichte
- 1.763 · 1.763
- Flammpunkt
- 118.9 ℃ · 118.9℃
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 6.47 · 6.47±0.38(Predicted)
- Farbe
- Light yellow to Yellow to Orange
- InChI
- 1S/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
- InChIKey
- CLNIBJASCGZXHH-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cc(Br)cc(c1O)[N+]([O-])=O
- CAS Datenbank
- 70978 · 70978-54-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5'-Bromo-2'-hydroxy-3'-nitroacetophenone is used as a chemical reagent in the synthesis of amides and benzoxazoles directly using a sulfate catalyst and microwaves. 1-(5-Bromo-2-hydroxy-3-nitrophen yl)ethanone is used in studies involving HIV-1 integrase inhibitors.
Darstellung
synthetischePreparation by nitration of 5-bromo-2-hydroxyacetophenone in refluxing carbon tetrachloride (88%).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter49 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Zugehörige Reaktionen
11
Notizen zur Verbindung
Wird geladen…