4-(3-Nitrophenyl)-4-oxobutanoic acid
Grundinformationen
- CAS
6328-00-3- Standard-SMILES
O=C(O)CCC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
VNDVLOPITGDGOG-UHFFFAOYSA-N- Summenformel
- C10H9NO5
- Durchschnittliche Molmasse
- 223,18 g/mol
- Monoisotopische Masse
- 223,04807239
Namen und Bezeichner
- Bevorzugter Name
- 4-(3-Nitrophenyl)-4-oxobutanoic acid
- IUPAC
- 4-(3-nitrophenyl)-4-oxobutanoic acid
- Englischer Name
- 3-Nitro-gamma-oxo-benzenebutanoic acid
- Summenformel
- C10H9NO5
- Molmasse
- 223.18
Namen und Synonyme
4-(3-Nitrophenyl)-4-oxobutanoic acid6328-00-3DTXSID102818434-{3-nitrophenyl}-4-oxobutanoic acidRefChem:513377DTXCID70232997868-293-5Propionic acid, 3-(m-nitrobenzoyl)-CHEMBL138934Benzenebutanoic acid, 3-nitro-.gamma.-oxo-3-(m-Nitrobenzoyl)propionic acid4-(3-nitrophenyl)-4-oxo-butanoic acid
Weitere Namen anzeigen
NSC 44437γ-Oxo-3-nitrobenzenebutyric acid3-(m-Nitrobenzoyl)propanoic acid3-(3-Nitrobenzoyl)propionic acid4-(3-Nitrophenyl)-4-oxobutyric acid4-Oxo-4-(3-nitrophenyl)butanoic acid
4-(3-Nitro-phenyl)-4-oxo-butyric acidNSC23237MFCD00130066CBMicro_048874Cambridge id 6131881Oprea1_343426Oprea1_492000SCHEMBL7406991
Datenbank-Bezeichner
- CAS
6328-00-3- PubChem CID
- 229505
- DTXSID
DTXSID10281843- ChEMBL
CHEMBL138934- EC Number
- 868-293-5
- Nikkaji
- J145.016F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 100 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 296
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-166℃
- Siedepunkt
- 404 ℃ · 404℃
- Dichte
- 1.391 · 1.391
- Flammpunkt
- 177 ℃ · 177℃
- pka
- 4.34 · 4.34±0.17(Predicted)
Sicherheit und Regulatorisches
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 (100%): 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 2 reports by companies from 1 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. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Anbieter6 Anbieter
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
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