5-Fluoro-2-nitrobenzoic acid methyl ester

METHYL 5-FLUORO-2-NITROBENZOATE · RARECHEM AL BF 0375 · Methyl 2-nitro-5-fluorobenzoate · 5-fluoro-3-methyl-2-nitrobenzoate · Methyl5-fluoro-2-nitrobenzoate98% · Methyl 5-fluoro-2-nitrobenzoate 98% · 5-Fluor-2-nitrobenzoesuremethylester · 3-Methoxycarbonyl-4-nitrofluorobenzene

https://huagongshe.com/de/chemical/5152049

Molekülstruktur von 5-Fluoro-2-nitrobenzoic acid methyl ester

Identifikatoren & physikalische Daten

CAS No.	393-85-1
Summenformel	C8H6FNO4
Durchschnittliche Molmasse	199,14 g/mol
Monoisotopische Masse	199,02808589 g/mol
SMILES	COC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIKey	LCAUVFVOLNRVKG-UHFFFAOYSA-N
PubChem CID	5152049
EC No.	609-664-1
DTXSID	DTXSID60408886

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	72,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	240
Schmelzpunkt	40-42°C
Siedepunkt	282℃
Dichte	1.388
Flammpunkt	124℃
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Acetone, DMSOSlightly soluble in water. Soluble in dimethyl sulfoxide and acetone.
Aggregatzustand	Low Melting Solid
Farbe	White
InChI	InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
InChIKey	LCAUVFVOLNRVKG-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC(F)=CC=C1[N+]([O-])=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Cease Manufacture Update: 18-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10865
Hazard Classes and Categories	Skin Irrit. 2 (25%)
Zollcode	2916399090
Gefahrensymbole	Xi
hazard_note	Irritant

Anwendungen & Verwendung

Verwenden

2-Nitro-5-fluorobenzoic Acid, Methyl Ester (cas# 393-85-1) is a compound useful in organic synthesis.