1-(3-Chloropropoxy)-4-fluorobenzene

HCID 74391

Notes Reactions

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Basic information

CAS: 1716-42-3
Standard SMILES: Fc1ccc(OCCCCl)cc1
InChIKey: DFFWYMMOMUTKOI-UHFFFAOYSA-N
Molecular formula: C9H10ClFO
Average molar mass: 188.62 g/mol
Monoisotopic mass: 188.04042084

Names & identifiers

Preferred name: 1-(3-Chloropropoxy)-4-fluorobenzene
IUPAC: 1-(3-chloropropoxy)-4-fluorobenzene
English name: 1-(3-Chloropropoxy)-4-fluorobenzene
Molecular formula: C9H10ClFO
Molecular weight: 188.63

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 118 · 118-120 °C (10 mmHg)
Density: 1.2 · 1.2
refractive index: 1.504 · 1.504-1.508
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 1716 · 1716-42-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36-26
RIDADR: 3265 · 3265
Hazard Note: Irritant
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: 3265
hs_code: 29093090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36-26
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

Uses1-(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.