4-Fluoro-2-nitrophenol

HCID 136236CAS 394-33-2

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc(F)ccc1O
InChIKey: ZHRLVDHMIJDWSS-UHFFFAOYSA-N
Summenformel: C6H4FNO3
Durchschnittliche Molmasse: 157,1 g/mol
Monoisotopische Masse: 157,01752121

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-nitrophenol
IUPAC: 4-fluoro-2-nitrophenol
Englischer Name: 2-Nitro-4-fluorophenol
Summenformel: C6H4FNO3
Molmasse: 157.1

Namen und Synonyme

4-Fluoro-2-nitrophenol394-33-2Phenol, 4-fluoro-2-nitro-DTXSID2075348NSC 10283Phenol, 4fluoro2nitroRefChem:98966DTXCID2039627628-200-9InChI=1/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9ZHRLVDHMIJDWSS-UHFFFAOYSA-N2-Nitro-4-fluorophenol

Weitere Namen anzeigen

4-Fluoro-2-nitrophenol>Phenol, 4-fluoro-2-nitro-4-Fluoro-2-nitrophenol99%4-Fluoro-2-nitrophenol 99%4-fluoro-2-nitrobenzophenol4-FLUORO-2-NITROPHENOL, 98+%5-Fluoro-2-hydroxynitrobenzene2-Nitro-4-fluorophenol ISO 9001：2015 REACH

4-Fluoro-2-nitro-phenolMFCD000425284-fluoronitrophenolNSC10283SCHEMBL2290934-Fluoro-2-nitrophenol, 99%SCHEMBL15017183NSC-10283

Datenbank-Bezeichner

CAS: 394-33-2
PubChem CID: 136236
DTXSID: DTXSID2075348
EC Number: 628-200-9
Nikkaji: J540.538F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitrophenols

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionGold powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 75 · 75-77 °C (lit.)
Siedepunkt: 234.1 · 234.1±20.0 °C(Predicted)
Dichte: 1.4306 · 1.4306 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 6.76 · 6.76±0.14(Predicted)
Farbe: Orange to Green to Amber
BRN: 1950412 · 1950412
InChI: InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey: ZHRLVDHMIJDWSS-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C=C1[N+]([O-])=O
CAS Datenbank: 394 · 394-33-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Fluoro-2-nitrophenol(394-33-2)
EPA chemische Informationen: 4 · 4-Fluoro-2-nitrophenol (394-33-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; Prolonged or repeated exposure may cause eye injury; Harmful by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 2-Nitrophenol.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29089000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3