1-(4-Chlorophenoxy)-2-nitrobenzene

HCID 3016050

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Grundinformationen

CAS: 39145-47-6
Standard-SMILES: O=[N+]([O-])c1ccccc1Oc1ccc(Cl)cc1
InChIKey: KVYVAGCVKWBOBS-UHFFFAOYSA-N
Summenformel: C12H8ClNO3
Durchschnittliche Molmasse: 249,65 g/mol
Monoisotopische Masse: 249,0192708

Namen und Bezeichner

Bevorzugter Name: 1-(4-Chlorophenoxy)-2-nitrobenzene
IUPAC: 1-(4-chlorophenoxy)-2-nitrobenzene
Englischer Name: 1-[(4-Chlorophenyl)oxy]-2-nitrobenzene
Summenformel: C12H8ClNO3
Molmasse: 249.65

Namen und Synonyme

39145-47-61-(4-Chlorophenoxy)-2-nitrobenzeneEINECS 254-316-0RefChem:425196254-316-02-Nitro-4'-chlorodiphenyl ether1-[(4-chlorophenyl)oxy]-2-nitrobenzeneBenzene, 1-(4-chlorophenoxy)-2-nitro-2-(4-Chlorophenoxy)-1-nitrobenzenep-chlorophenyl-o-nitrophenyl ether2-Nitro-4'-chloro-diphenyl ether2-Nitrophenyl 4-chlorophenyl ether

Weitere Namen anzeigen

2-Nitro-4`chloro–diphenylethe4'-Chloro-2-nitrodiphenyl etherp-chlorophenyl-o-nitrophenylether

1-Nitro-2-(4-chlorophenoxy)benzeneSCHEMBL6418312-Nitro-4`chloro-diphenyletheSCHEMBL8123557SCHEMBL8123617SCHEMBL81236192-Nitro-4'-chlorodiphenyletherCHEMBL2270122

Datenbank-Bezeichner

CAS: 39145-47-6
PubChem CID: 3016050
DTXSID: DTXSID8021694
ChEMBL: CHEMBL2270122
EC Number: 254-316-0
Nikkaji: J261.320D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 261

Physikochemische Eigenschaften

storage temp.: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C12H8ClNO3/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H
InChIKey: KVYVAGCVKWBOBS-UHFFFAOYSA-N
SMILES: C1(OC2=CC=C(Cl)C=C2)=CC=CC=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 3 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 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

ridadr: UN3077
hazard_class: 9

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(4-Chlorophenoxy)-2-nitrobenzene is used as a reagent in the synthesis of novel benzamide derivatives containing a diphenyl ether moiety which display good antifungal and insecticidal properties. 1-(4-chlorophenoxy)-2-nitrobenzene also displays fungicidal activity against certain phytopathogenic fungi.