2-(4-Fluorophenoxy)acetonitrile

HCID 2783058CAS 24115-20-6

Substructure search Find similar structures

Basic information

Standard SMILES: N#CCOc1ccc(F)cc1
InChIKey: ODBGONFPCSVCCM-UHFFFAOYSA-N
Molecular formula: C8H6FNO
Average molar mass: 151.14 g/mol
Monoisotopic mass: 151.04334203

Names & identifiers

Preferred name: 2-(4-Fluorophenoxy)acetonitrile
IUPAC: 2-(4-fluorophenoxy)acetonitrile
English name: 2-(4-Fluorophenoxy)acetonitrile
Molecular formula: C8H6FNO
Molecular weight: 151.14

Names & synonyms

2-(4-fluorophenoxy)acetonitrile24115-20-6DTXSID10382420RefChem:252330DTXCID40333445(4-fluorophenoxy)acetonitrile2-(4-Fluorophenoxy)-acetonitrileMFCD034258022-(4-fluorophenoxy)ethanenitrileAcetonitrile, (4-fluorophenoxy)-Acetonitrile, 2-(4-fluorophenoxy)-p-fluorophenoxyacetonitrile

Show more names

SCHEMBL3251102SCHEMBL15067304SCHEMBL15067857ODBGONFPCSVCCM-UHFFFAOYSA-NALBB-026303SBB072988AKOS000195845FF80395

Database identifiers

CAS: 24115-20-6
PubChem CID: 2783058
DTXSID: DTXSID10382420
EC Number: 671-690-4

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 151.1 · 151.1
storage temp.: Store at room temperature
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2926907090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501