N-(3-Fluorophenyl)acetamide

HCID 9594

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 351-28-0
Standard SMILES: CC(=O)Nc1cccc(F)c1
InChIKey: AQLLDCFUQXGLHM-UHFFFAOYSA-N
Molecular formula: C8H8FNO
Average molar mass: 153.15 g/mol
Monoisotopic mass: 153.0589921

Names & identifiers

Preferred name: N-(3-Fluorophenyl)acetamide
IUPAC: N-(3-fluorophenyl)acetamide
English name: 3-Fluoroacetanilide
Molecular formula: C8H8FNO
Molecular weight: 153.15

Names & synonyms

351-28-0N-(3-FLUOROPHENYL)ACETAMIDEEINECS 206-509-6DTXSID00188594NSC 10348RefChem:826585DTXCID60111085206-509-6InChI=1/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,113'-Fluoroacetanilide3-Fluoroacetanilidem-Fluoroacetanilide

Show more names

3'-FLUOROACETANIL3-Fluoroacetanilide,98%3'-Fluoroacetanilide>3'-Fluoroacetanilide 98%N-Acetyl-3-fluoroaniline

3-Acetamido-1-fluorobenzeneMFCD00017917Acetanilide, 3'-fluoro-Acetamide, N-(3-fluorophenyl)-NF7XTQ6SQDNSC10348NSC-103483'-Fluoroacetanilide, 98%

Database identifiers

CAS: 351-28-0
PubChem CID: 9594
DTXSID: DTXSID00188594
UNII: NF7XTQ6SQD
EC Number: 206-509-6
Nikkaji: J193.820G

Properties

Computed structural properties

XLogP: 1.6
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: 149

Experimental & physicochemical properties

LogP1.46

Physicochemical properties

Melting point: 82 · 82-84 °C(lit.)
Boiling point: 293.3 · 293.3±23.0 °C(Predicted)
Density: 1.1655 · 1.1655 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 25 mg/mL, · methanol: soluble25mg/mL, clear, colorless to yellow
pka: 14.34 · 14.34±0.70(Predicted)
form: powder to crystal
color: White to Light yellow
Water Solubility: insoluble
BRN: 2803073 · 2803073
CAS DataBase Reference: 351 · 351-28-0(CAS DataBase Reference)
FDA UNII: 7 XTQ6SQD · NF7XTQ6SQD
NIST Chemistry Reference: 3 · 3'-Fluoroacetanilide(351-28-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29242990 · 29242990
REACH Registrations: Inactive

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 10-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31737

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29242990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications

Uses3''-Fluoroacetanilide is a reactant in the preparation of trifluoromethylaryl acetamides via Pd-catalyzed trifluoromethylation of aromatics C-H bond with Umemoto''s reagent directed by acetamino group.