2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
Grundinformationen
- CAS
66549-17-5- Standard-SMILES
CC(CC(=O)c1cccc(C(F)(F)F)c1)C(=O)O- InChIKey
CPFSOBKNKNLDCX-UHFFFAOYSA-N- Summenformel
- C12H11F3O3
- Durchschnittliche Molmasse
- 260,21 g/mol
- Monoisotopische Masse
- 260,06602887
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
- IUPAC
- 2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
- Englischer Name
- 2-METHYL-4-OXO-4-(3'-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
- Summenformel
- C12H11F3O3
- Molmasse
- 260.21
Namen und Synonyme
66549-17-52-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid2-Methyl-4-oxo-4-(3-(trifluoromethyl)phenyl)butanoic acid2-Methyl-4-oxo-4-(3'-trifluoromethylphenyl)butyric acidMFCD04972251SCHEMBL11151625DTXSID50498756SBB102283AKOS010910353DB-021350F935462-Methyl-3-(m-trifluoromethylbenzoyl)propionic acid
Weitere Namen anzeigen
2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]ButanoicacidBenzenebutanoic acid, α-methyl-γ-oxo-3-(trifluoromethyl)-Benzenebutanoic acid, a-Methyl-g-oxo-3-(trifluoroMethyl)-
2-Methyl-4-oxo-4-(3-trifluoromethylphenyl)butyric acid2-Methyl-4-oxo-4-(3-(trifluoromethyl)phenyl)butanoicacid
Datenbank-Bezeichner
- CAS
66549-17-5- PubChem CID
- 12449520
- DTXSID
DTXSID50498756- EC Number
- 688-056-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 325
Physikochemische Eigenschaften
- CAS Datenbank
- 66549 · 66549-17-5
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Sicherheitsdaten
- hs_code
- 2915601990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemie und Industrie
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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