2-Fluoro-5-nitrobenzaldehyde

HCID 2734770CAS 27996-87-8

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Grundinformationen

Standard-SMILES: O=Cc1cc([N+](=O)[O-])ccc1F
InChIKey: VVXFDFQEIRGULC-UHFFFAOYSA-N
Summenformel: C7H4FNO3
Durchschnittliche Molmasse: 169,11 g/mol
Monoisotopische Masse: 169,01752121

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-5-nitrobenzaldehyde
IUPAC: 2-fluoro-5-nitrobenzaldehyde
Englischer Name: 2-Fluoro-5-nitrobenzaldehyde
Summenformel: C7H4FNO3
Molmasse: 169.11

Namen und Synonyme

2-Fluoro-5-nitrobenzaldehyde27996-87-8DTXSID20370494RefChem:87108DTXCID40321529625-541-5MFCD00042298Benzaldehyde, 2-fluoro-5-nitro-2-fluoro-5-nitro-benzaldehyde2-fluoro-5 nitrobenzaldehydeSCHEMBL3490395-nitro-2-fluorobenzaldehyde

Weitere Namen anzeigen

PALO-008FLUORO NITROBENZALDEHYDE4-Fluoro-3-formylnitrobenzeneBenzaldehyde,2-fluoro-5-nitro-2-Fluoro-5-nitrobenzaldehyde>2-Fluoro-5-nitrobenzaldehyde,97%2-Fluoro-5-Nitrobenzaldehyde 5-Nitro-2-Fluorobenzaldehyde

2-Fluoro-5-nitrobenzaldehyde, 97%BP-13367F0618Z12031593702-fluoranyl-5-nitro-benzaldehydeFT-0612367A819275SCHEMBL697640

Datenbank-Bezeichner

CAS: 27996-87-8
PubChem CID: 2734770
DTXSID: DTXSID20370494
EC Number: 625-541-5
Nikkaji: J1.149.793D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 62,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-60 °C (lit.)
Siedepunkt: 269.7 · 269.7±25.0 °C(Predicted)
Dichte: 1.443 · 1.443±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: Beige to light brown
Wasserlöslichkeit: It is insoluble in water.
BRN: 1950329 · 1950329
InChI: InChI=1S/C7H4FNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey: VVXFDFQEIRGULC-UHFFFAOYSA-N
SMILES: C(=O)C1=CC([N+]([O-])=O)=CC=C1F
CAS Datenbank: 27996 · 27996-87-8(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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: PG3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Fluoro-5-nitrobenzaldehyde, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.