4-Chlor-1-fluor-2-nitrobenzol

4-Chloro-1-fluoro-2-nitrobenzene

HCID 67660CAS 345-18-6

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc(Cl)ccc1F
InChIKey: DIAWBHLTWNWYGR-UHFFFAOYSA-N
Summenformel: C6H3ClFNO2
Durchschnittliche Molmasse: 175,54 g/mol
Monoisotopische Masse: 174,9836342

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-1-fluoro-2-nitrobenzene
IUPAC: 4-chloro-1-fluoro-2-nitrobenzene
Lokaler Name: 4-Chlor-1-fluor-2-nitrobenzol
Englischer Name: 5-Chloro-2-fluoronitrobenzene
Summenformel: C6H3ClFNO2
Molmasse: 175.54

Namen und Synonyme

5-chloro-2-fluoronitrobenzene4-Chloro-1-fluoro-2-nitrobenzene2-fluoro-5-chloronitrobenzeneBenzene, 4-chloro-1-fluoro-2-nitro-1-CHLORO-4-FLUORO-3-NITROBENZENEMAM88XP8XPEINECS 206-457-4DTXSID201880561-FLUORO-4-CHLORO-2-NITROBENZENE3-CHLORO-6-FLUORO-1-NITROBENZENE2-FLUORO-5-CHLORO-1-NITROBENZENERefChem:98296

Weitere Namen anzeigen

5-Chloro-2-fluoronit5-chloro-2-fluoronitrobenzenen4-CHLORO-2-NITRO FLUORO BENZENE1-Nitro-2-fluoro-5-chlorobenzene1-Fluoro-2-nitro-4-chlorobenzene5-Chloro-2-fluoronitrobenzene 97%

DTXCID50110547345-18-64-chloro-1-fluoro-2-nitro-benzeneMFCD00069418SCHEMBL3063755-chloro-2-fluoro nitrobenzeneSCHEMBL17145919CS-W019164

Datenbank-Bezeichner

CAS: 345-18-6
PubChem CID: 67660
DTXSID: DTXSID20188056
UNII: MAM88XP8XP
EC Number: 206-457-4
Nikkaji: J193.795B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
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: 8.3 °C · 8.3 °C
Siedepunkt: 236 °C · 236 °C
Dichte: 1.49 g/ml · 1.49g/ml
Brechungsindex: 1.549 · 1.5490-1.5530
Flammpunkt: 97 °C · 97 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Light yellow to Yellow to Orange
Wichte: 1.48 · 1.48
CAS Datenbank: 345 · 345-18-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8 / PGII
hs_code: 2904990090
risk_code: 20/21/22-36/37/38-34
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 36/37/39-45

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Chloro-2-fluoronitrobenzene is an organic synthetic reagent or pharmaceutical intermediate component. It can be used in the synthesis of aniline intermediates of ureidoolefins, and the amino and hydroxyl groups at the 4-position of these aniline intermediates are useful in the further preparation of macrocyclic urea kinase inhibitors.