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HCID 565656Erstellt: 3. November 2026

4-Fluoro-2-nitroanisole

4-Fluoro-2-nitro-methoxybenzene · 4-FLUORO-1-METHOXY-2-NITROBENZENE · 4-Fluoro-2-nitroanis · 4-FLUORO-2-NITROANISOLE · 4-Fluoro-2-nitroanisole>4-Fluoro-2-nitroanisole98% · 4-Fluoro-2-nitroanisole 98% · 445-83-0 4-Fluoro-2-nitroanisole · 1-Methoxy-2-nitro-4-fluorobenzene

https://huagongshe.com/de/chemical/565656

Molekülstruktur von 4-Fluoro-2-nitroanisole

Identifikatoren & physikalische Daten

CAS No.	445-83-0
Summenformel	C7H6FNO3
Durchschnittliche Molmasse	171,13 g/mol
Monoisotopische Masse	171,03317127 g/mol
SMILES	COc1ccc(F)cc1[N+](=O)[O-]
InChIKey	FWLPYISRFBKEKV-UHFFFAOYSA-N
PubChem CID	565656
EC No.	625-581-3
DTXSID	DTXSID70340561

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	55,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	171
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Schmelzpunkt	62-64 °C (lit.)
Siedepunkt	272.4±20.0 °C(Predicted)
Dichte	1.321±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	soluble in Toluene
Aggregatzustand	powder to crystal
Farbe	Light orange to Yellow to Green
InChI	1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChIKey	FWLPYISRFBKEKV-UHFFFAOYSA-N
SMILES	COc1ccc(F)cc1[N+]([O-])=O
CAS Datenbank	445-83-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29093090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi,Xn
hazard_note	Irritant
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

4-Fluoro-2-nitroanisole

CAS No.

445-83-0

Summenformel

C7H6FNO3

Durchschnittliche Molmasse

171,13 g/mol

Monoisotopische Masse

171,03317127 g/mol

SMILES

COc1ccc(F)cc1[N+](=O)[O-]

InChIKey

FWLPYISRFBKEKV-UHFFFAOYSA-N

PubChem CID

565656

EC No.

625-581-3

DTXSID

DTXSID70340561

Chemische & physikalische Eigenschaften

XLogP

1,9

Polarare Oberfläche (TPSA)

55,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

171

SpringerMaterials Properties

13C nuclear magnetic resonance spectrum

Schmelzpunkt

62-64 °C (lit.)

Siedepunkt

272.4±20.0 °C(Predicted)

Dichte

1.321±0.06 g/cm3(Predicted)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2-8°C

Löslichkeit

soluble in Toluene

Aggregatzustand

powder to crystal

Farbe

Light orange to Yellow to Green

InChI

1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

InChIKey

FWLPYISRFBKEKV-UHFFFAOYSA-N

SMILES

COc1ccc(F)cc1[N+]([O-])=O

CAS Datenbank

445-83-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

29093090

R-Sätze (R)

36/37/38

Gefahrensymbole

Xi,Xn

hazard_note

Irritant

Sicherheitshinweise (S)

26-36

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Eye Irrit. 2Skin Irrit. 2STOT SE 3