Grundinformationen
- Standard-SMILES
CC(=O)Nc1ccc(Br)cc1C(=O)O- InChIKey
QVABAFHRLMDDLM-UHFFFAOYSA-N- Summenformel
- C9H8BrNO3
- Durchschnittliche Molmasse
- 258,07 g/mol
- Monoisotopische Masse
- 256,96876
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetamido-5-bromobenzoic Acid
- IUPAC
- 2-acetamido-5-bromobenzoic acid
Namen und Synonyme
2-Acetamido-5-bromobenzoic acid2-(acetylamino)-5-bromobenzoic acidRefChem:462753622-246-338985-79-45-bromo-2-acetamidobenzoic acidMFCD000409042-Acetamino-5-bromobenzoic acidN-Acetyl-5-bromoanthranilic acidN-Acetyl-5-bromo-anthranilic acid2-ACETAMIDO-5-BROMOBENZOICACID2-Acetylamino-5-bromobenzoic acid
Weitere Namen anzeigen
SCHEMBL1113132-acetamido-5-bromo benzoic acid2-acetamido-5-bromo-benzoic acidNBA98579AKOS0026658112-Acetamido-5-bromobenzoic acid, 97%AS-60439Benzoic acid, 2-(acetylamino)-5-bromo-
Datenbank-Bezeichner
- CAS
38985-79-4- PubChem CID
- 520935
- EC Number
- 622-246-3
- Nikkaji
- J2.761.631C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 244
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 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 CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)
Zugehörige Reaktionen
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