4-Chlor-2-fluor-1-nitrobenzol

4-Chloro-2-fluoro-1-nitrobenzene

HCID 69691CAS 700-37-8

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(Cl)cc1F
InChIKey: PTCPUGKKWNMITF-UHFFFAOYSA-N
Summenformel: C6H3ClFNO2
Durchschnittliche Molmasse: 175,54 g/mol
Monoisotopische Masse: 174,98363424

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2-fluoro-1-nitrobenzene
IUPAC: 4-chloro-2-fluoro-1-nitrobenzene
Lokaler Name: 4-Chlor-2-fluor-1-nitrobenzol
Englischer Name: 4-Chloro-2-fluoronitrobenzene
Summenformel: C6H3ClFNO2
Molmasse: 175.54

Namen und Synonyme

4-Chloro-2-fluoro-1-nitrobenzene700-37-8EINECS 211-842-5PTCPUGKKWNMITF-UHFFFAOYSA-DTXSID40220260RefChem:521046DTXCID40142751211-842-5InChI=1/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H4-Chloro-2-fluoronitrobenzene4-chloro-2-fluoro-1-nitro-benzeneMFCD00042211

Weitere Namen anzeigen

Chlorofluoronitrobenzene2-fluoro-4-chloroitrobenzene4-Chloro-5-fluoronitrobenzene4-Chlor-2-fluor-1-nitrobenzol4-Chloro-2-fluoronitrobenzenen4-Choro-2-fluoro-1-nitrobenzene

Benzene, 4-chloro-2-fluoro-1-nitro-SCHEMBL293484-chloro-2-fluoro-1-nitro benzeneAC-9689SY0131314-Chloro-2-fluoro-1-nitrobenzene, AldrichCPR2-FLUORO-4-CHLORONITROBENZENE1-chloro-3-fluoro-4-nitrobenzene

Datenbank-Bezeichner

CAS: 700-37-8
PubChem CID: 69691
DTXSID: DTXSID40220260
EC Number: 211-842-5
Nikkaji: J193.060E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 48 °C · 48°C
Siedepunkt: 241.8 · 241.8±20.0 °C(Predicted)
Dichte: 1.494 · 1.494±0.06 g/cm3(Predicted)
Flammpunkt: 110 ℃ · >110℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Green
InChI: InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey: PTCPUGKKWNMITF-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(Cl)C=C1F
CAS Datenbank: 700 · 700-37-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (60%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29042090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-chloro-2-fluoronitrobenzene is a vital farming intermediate approximately, such as synthetic low toxicity, broad spectrum, ultra-high efficiency weedicide fluthiacetmethyl. The existing synthetic method has a great majority of 2, and 4-dichloronitrobenzene is a starting raw material, so prepare 4-chloro-2-fluoronitrobenzene through the halogen replacement(metathesis)reaction.

Verwenden4-Chloro-2-fluoronitrobenzene serves as a precursor for synthesizing 5-(1H-imidazol-1-yl)-N-methyl-2-nitroaniline via sequential reaction with aqueous methylamine and imidazole[3].