CAS 14027-75-9 3-Fluoro-5-nitrobenzoic acid (HCID 2759047)

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Grundinformationen

CAS: 14027-75-9
Standard-SMILES: O=C(O)c1cc(F)cc([N+](=O)[O-])c1
InChIKey: VIPUIECMSDQUIK-UHFFFAOYSA-N
Summenformel: C7H4FNO4
Durchschnittliche Molmasse: 185,11 g/mol
Monoisotopische Masse: 185,01243583

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-5-nitrobenzoic acid
IUPAC: 3-fluoro-5-nitrobenzoic acid
Englischer Name: 3-FLUORO-5-NITROBENZOIC ACID
Summenformel: C7H4FNO4
Molmasse: 185.11

Namen und Synonyme

3-fluoro-5-nitrobenzoic acid14027-75-9DTXSID50374627RefChem:279491DTXCID30325657675-236-6BENZOIC ACID, 3-FLUORO-5-NITRO-MFCD058643603-fluoro-5-nitrobenzoicacidSCHEMBL4104325-FLUORO-3-NITROBENZOIC ACIDCK1081

Weitere Namen anzeigen

3-Fluoro-5-NitrobenzoicAci3-Fluoro-5-nitrobenzoicacid,97%3-Fluoro-5-nitrobenzoic acid ,98%3-FLUORO-5-NITROBENZOIC ACID ISO 9001：2015 REACH

AKOS005259225AKOS017344929GS-4148SY0305093-fluoro-5-nitro-benzoic Acid5-Nitro-3-fluorobenzoic acidorb3029666Fr213021

Datenbank-Bezeichner

CAS: 14027-75-9
PubChem CID: 2759047
DTXSID: DTXSID50374627
EC Number: 675-236-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 83,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 125 °C · 125°C
Siedepunkt: 341.2 · 341.2±27.0 °C(Predicted)
Dichte: 1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.14 · 3.14±0.10(Predicted)
Aggregatzustand: Solid
InChI: InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChIKey: VIPUIECMSDQUIK-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC([N+]([O-])=O)=CC(F)=C1
CAS Datenbank: 14027 · 14027-75-9(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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2916399090

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-fluoro-5-nitrobenzoic acid is an industrial chemical with a variety of uses. It is used as an intermediate in the production of other chemicals and pharmaceuticals. 3-Fluoro-5-nitrobenzoic acid can be activated to form the corresponding sodium salt, which has been used as a reagent for organic synthesis. This chemical can also be used to produce n-oxides, such as phenoxides and nitrophenols. 3-Fluoro-5-nitrobenzoic acid is also used to synthesize industrial chemicals, including chlorides and benzene derivatives.