5-Bromo-2,3,4-trifluorobenzoic acid

HCID 11118637CAS 212631-85-1

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Grundinformationen

Standard-SMILES: O=C(O)c1cc(Br)c(F)c(F)c1F
InChIKey: XQIATTAAVBLNAN-UHFFFAOYSA-N
Summenformel: C7H2BrF3O2
Durchschnittliche Molmasse: 254,99 g/mol
Monoisotopische Masse: 253,91903

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2,3,4-trifluorobenzoic acid
IUPAC: 5-bromo-2,3,4-trifluorobenzoic acid
Englischer Name: 5-Bromo-2,3,4-trifluorobenzoic acid
Summenformel: C7H2BrF3O2
Molmasse: 254.99

Namen und Synonyme

5-bromo-2,3,4-trifluorobenzoic acid212631-85-1DTXSID60455895RefChem:301491DTXCID90406714828-582-9Benzoic acid, 5-bromo-2,3,4-trifluoro-MFCD127567715-bromo-2,3,4-trifluoro-benzoic AcidSCHEMBL1342951SCHEMBL29781380AKOS023095373

Weitere Namen anzeigen

XQIATTAAVBLNAN-UHFFFAOYSA-N3-BROMO-4,5,6-TRIFLUOROBENZOIC ACID

AT21463SY403531CS-0103702EN300-344005F612157

Datenbank-Bezeichner

CAS: 212631-85-1
PubChem CID: 11118637
DTXSID: DTXSID60455895
EC Number: 828-582-9
Nikkaji: J1.722.474C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

storage temp.: Store at room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]；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, P301+P317, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 5 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2916399090

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-2,3,4-trifluorobenzoic acid is a halobenzoic acid. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.