1-(3-Chlorpropoxy)-4-fluorbenzol

1-(3-Chloropropoxy)-4-fluorobenzene

HCID 74391

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Grundinformationen

CAS: 1716-42-3
Standard-SMILES: Fc1ccc(OCCCCl)cc1
InChIKey: DFFWYMMOMUTKOI-UHFFFAOYSA-N
Summenformel: C9H10ClFO
Durchschnittliche Molmasse: 188,62 g/mol
Monoisotopische Masse: 188,04042084

Namen und Bezeichner

Bevorzugter Name: 1-(3-Chloropropoxy)-4-fluorobenzene
IUPAC: 1-(3-chloropropoxy)-4-fluorobenzene
Lokaler Name: 1-(3-Chlorpropoxy)-4-fluorbenzol
Englischer Name: 1-(3-Chloropropoxy)-4-fluorobenzene
Summenformel: C9H10ClFO
Molmasse: 188.63

Namen und Synonyme

1-(3-Chloropropoxy)-4-fluorobenzene1716-42-3EINECS 217-000-3DFFWYMMOMUTKOI-UHFFFAOYSA-DTXSID50169136RefChem:74318DTXCID2091627217-000-3InChI=1/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H23-(4-Fluorophenoxy)propyl ChlorideMFCD000189863-chloro-1-(4-fluorophenoxy)propane

Weitere Namen anzeigen

TIMTEC-BB SBB0036741-(3-Chloropropoxy)-4-FluorochloropropylanisoleFluorophenoxy)propylchloride1-(3-Chloropropoxy)-4-fluoro4-Fluorophenoxypropyl chloride1-Chloro-3-(4-fluorophenoxy)pr3-CHLOROPROPYL 4-FLUOROPHENYL ETHER1-(4-fluorophenoxy)-3-chloropropane

Benzene, 1-(3-chloropropoxy)-4-fluoro-1-(3-chloro-propoxy)-4-fluorobenzene1-chloro-3-(4-fluorophenoxy)-propane3-(4-Fluorophenoxy)propyl chloride, 1-chloro-3-(4-fluorophenoxy)-propane1-(3-chloropropoxy)-4-fluoro-benzeneSCHEMBL167606SCHEMBL97217483-(4-Fluorophenosy)propylchloride

Datenbank-Bezeichner

CAS: 1716-42-3
PubChem CID: 74391
DTXSID: DTXSID50169136
EC Number: 217-000-3
Nikkaji: J203.109D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 113

Physikochemische Eigenschaften

Siedepunkt: 118 · 118-120 °C (10 mmHg)
Dichte: 1.2 · 1.2
Brechungsindex: 1.504 · 1.504-1.508
storage temp.: Sealed in dry,Room Temperature
CAS Datenbank: 1716 · 1716-42-3(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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

ridadr: 3265
hs_code: 29093090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36-26

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(3-Chloropropoxy)-4-fluorobenzene was used as a reagent in the preparation of a library of hydantoin compds which has used to study Aurora kinase A inhibitory activity. It was also used as an alkylation agent in the preparation of tetracyclic quinoxaline butyrophenones as 5-HT2A and postsynaptic D2 antagonists and inhibitors of serotonin transporter for treatment of neuropsychiatric and neurological disorders.