N-(4-fluorophenyl)acetamide

HCID 9601CAS 351-83-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1ccc(F)cc1
InChIKey: JHEFOJNPLXSWNZ-UHFFFAOYSA-N
Molecular formula: C8H8FNO
Average molar mass: 153.15 g/mol
Monoisotopic mass: 153.0589921

Overview

structure in first source

Names & identifiers

Preferred name: N-(4-fluorophenyl)acetamide
IUPAC: N-(4-fluorophenyl)acetamide
English name: 4-Fluoroacetanilide
Molecular formula: C8H8FNO
Molecular weight: 153.15

Names & synonyms

4-Fluoroacetanilide351-83-7N-(4-FLUOROPHENYL)ACETAMIDEp-FluoroacetanilideAcetamide, N-(4-fluorophenyl)-Acetanilide, 4'-fluoro-N-p-Fluorophenylacetamide55Y67URK6WNSC-10349DTXSID40188598RefChem:98996DTXCID00111089

Show more names

Compound Fr139194’-fluoro-acetanilid4-Fluoroacetanilide,98%4'-Fluoroacetanilide>4-Fluorophenyl acetamide

206-515-94'-FluoroacetanilideMFCD00016335EINECS 206-515-9NSC 10349BRN 22080901-Acetamido-4-fluorobenzeneAI3-52222

Database identifiers

CAS: 351-83-7
PubChem CID: 9601
DTXSID: DTXSID40188598
ChEMBL: CHEMBL125099
UNII: 55Y67URK6W
EC Number: 206-515-9
Nikkaji: J154.039D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 153 · 153-155 °C(lit.)
Boiling point: 300.6 · 300.6±25.0 °C(Predicted)
Density: 1.1655 · 1.1655 (estimate)
solubility: soluble in Methanol
form: powder to crystal
pka: 14.1 · 14.10±0.70(Predicted)
color: White to Almost white
Water Solubility: practically insoluble
BRN: 2208090 · 2208090
CAS DataBase Reference: 351 · 351-83-7(CAS DataBase Reference)
FDA UNII: 55 Y67URK6W · 55Y67URK6W
NIST Chemistry Reference: 4 · Acetanilide, 4'-fluoro-(351-83-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25-36-37
WGK Germany: 2 · 2
RTECS: 2977000 · AE2977000
HazardClass: IRRITANT
HS Code: 29242990 · 29242990

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 45 reports by companies from 5 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

wgk: 2
rtecs: AE2977000
hs_code: 29242990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25-36-37
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-Fluoroacetanilide solutions and commercial samples serve as the crystallizing material in metastable zone width (MZW) measurements in aqueous ethanol[3].