2,4-Dichloro-5-fluorobenzoic acid

HCID 688138CAS 86522-89-6

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Grundinformationen

Standard-SMILES: O=C(O)c1cc(F)c(Cl)cc1Cl
InChIKey: KZCWJHUTTSVCRO-UHFFFAOYSA-N
Summenformel: C7H3Cl2FO2
Durchschnittliche Molmasse: 209 g/mol
Monoisotopische Masse: 207,94941292

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-fluorobenzoic acid
IUPAC: 2,4-dichloro-5-fluorobenzoic acid
Englischer Name: 2,4-Dichloro-5-fluorobenzoic acid
Summenformel: C7H3Cl2FO2
Molmasse: 209

Namen und Synonyme

2,4-Dichloro-5-fluorobenzoic acid86522-89-6DTXSID30350803RefChem:443296DTXCID30301870630-106-8MFCD000752812,4-dichloro-5-fluoro-benzoic acidBenzoic acid, 2,4-dichloro-5-fluoro-AC-4470SY0187872,4-Dichloro-5-fluorobenzoic acid, 99%

Weitere Namen anzeigen

TIMTEC-BB SBB003459RARECHEM AL BE 1219Ciprofloxacin Impurity-2B2,4-Dichloro-5-fluorobenzoic2,4-Dichloro-5-Fluro Benzoic Acid2,4-difluoro-5-fluorobenzoic acid2,4-Dichloro-5-fluorobenzoicAcid>2,4-Dichloro-5-fluorobenzoicacid98%

EN300-13500Norfloxacin Impurity 13AMY29482,4-Dichloro-5-fluorobenzoicacid2,4-dichloro-5-fluoro benzoic acidCDS1_000104Maybridge1_0023922,4-Dichloro-5-fluorobenzoi

Datenbank-Bezeichner

CAS: 86522-89-6
PubChem CID: 688138
DTXSID: DTXSID30350803
EC Number: 630-106-8
Nikkaji: J243.025H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 188

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-146 °C(lit.)
Siedepunkt: 311.7 · 311.7±37.0 °C(Predicted)
Dichte: 1.5231 · 1.5231 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 2.29 · 2.29±0.25(Predicted)
Farbe: White to Almost white
CAS Datenbank: 86522 · 86522-89-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2,4-dichloro-5-fluoro-: ACTIVE

Anwendungen

Beschreibung2,4-dichloro-5-fluoro-benzoic acid is an intermediate for the preparation of antibacterial agents. It is formed in the saponification of 2,4-dichloro-5-fluoro-trichloromethylbenzene.