1-(4-Amino-3-fluorophenyl)ethan-1-one

HCID 3018463CAS 73792-22-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)c1ccc(N)c(F)c1
InChIKey: HAGOSDNWHSSVDX-UHFFFAOYSA-N
Molecular formula: C8H8FNO
Average molar mass: 153.15 g/mol
Monoisotopic mass: 153.0589921

Names & identifiers

Preferred name: 1-(4-Amino-3-fluorophenyl)ethan-1-one
IUPAC: 1-(4-amino-3-fluorophenyl)ethanone
English name: 1-(4-amino-3-fluorophenyl)ethan-1-one
Molecular formula: C8H8FNO
Molecular weight: 153.15

Names & synonyms

1-(4-amino-3-fluorophenyl)ethanone73792-22-01-(4-Amino-3-fluorophenyl)ethan-1-oneEINECS 277-610-0DTXSID10994769RefChem:424730DTXCID601421801277-610-04'-Amino-3'-fluoroacetophenoneMFCD12032124Ethanone, 1-(4-amino-3-fluorophenyl)-4-acetyl-2-fluoroaniline

Show more names

3-Fluoro-4-aminoacetophenone4’-Amino-3’-fluoroacetophenoneEthanone, 1-(4-amino-3-fluorophenyl)- (9CI)

SCHEMBL4789334-Amino-3-FluoroacetophenoneHAGOSDNWHSSVDX-UHFSCHEMBL29388181CL8662AKOS013512433CS-W019521GS-3665

Database identifiers

CAS: 73792-22-0
PubChem CID: 3018463
DTXSID: DTXSID10994769
EC Number: 277-610-0
Nikkaji: J295.272F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 86 · 86-88℃
Boiling point: 286 ℃ · 286℃
Density: 1.201 · 1.201
Flash point: 127 ℃ · 127℃
storage temp.: 2 · 2-8°C(protect from light)
pka: 0.77 · 0.77±0.10(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335-H312-H332
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
HS Code: 2914790090 · 2914790090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335-H312-H332
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312

Chemistry & industry

Applications

Uses1-(4-Amino-3-fluorophenyl)ethanone can be used as a starting material in the preparation of 2-Amino-5-[(cyclopentylamino)acetyl]-3-fluoro-benzonitrile.