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HCID 22831701Erstellt: 29. Oktober 2026

5-(4-Bromophenyl)-1,2-oxazole-4-carboxylic acid

5-(4-bromophenyl)-4-isoxazolecarboxylic acid · 5-(4-BROMO-PHENYL)-ISOXAZOLE-4-CARBOXYLIC ACID · 4-Isoxazolecarboxylic acid, 5-(4-bromophenyl)- · 5-(4-bromophenyl)-1,2-oxazole-4-carboxylic acid · JR-14139, 5-(4-Bromophenyl)isoxazole-4-carboxylic acid, 97%

https://huagongshe.com/de/chemical/22831701

Molekülstruktur von 5-(4-Bromophenyl)-1,2-oxazole-4-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.887408-14-2
SummenformelC10H6BrNO3
Durchschnittliche Molmasse268,06 g/mol
Monoisotopische Masse266,95311 g/mol
SMILESO=C(O)c1cnoc1-c1ccc(Br)cc1
InChIKeyJACKYDJBTWSWKS-UHFFFAOYSA-N
PubChem CID22831701
EC No.109-969-5
DTXSIDDTXSID80628509

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)63,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen2
Schwere Atome15
Formalladung0
Komplexität241
Aggregatzustandsolid
InChI1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)5-12-15-9/h1-5H,(H,13,14)
InChIKeyJACKYDJBTWSWKS-UHFFFAOYSA-N
SMILESO=C(O)C1=C(C2=CC=C(Br)C=C2)ON=C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)WGK 3
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 Oral