4-Chloro-2-fluorobenzamide

HCID 3721849CAS 104326-93-4

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)c1ccc(Cl)cc1F
InChIKey: ISXNTFNVBYPXMO-UHFFFAOYSA-N
Molecular formula: C7H5ClFNO
Average molar mass: 173.57 g/mol
Monoisotopic mass: 173.00436968

Names & identifiers

Preferred name: 4-Chloro-2-fluorobenzamide
IUPAC: 4-chloro-2-fluorobenzamide
English name: 4-Chloro-2-fluorobenzamide
Molecular formula: C7H5ClFNO
Molecular weight: 173.57

Names & synonyms

4-chloro-2-fluorobenzamide104326-93-4DTXSID60395520RefChem:291500DTXCID00346379846-258-54-chloro-2-fluoro-benzamideMFCD04115956SCHEMBL911253AKOS009039978AS-48558CS-0151390

Show more names

Benzamide, 4-chloro-2-fluoro-4-chloro-2-fluoro-benzamide - [C81194]

F51090EN300-6768988Z116821738SBB088802SY229092DB-332134F234550

Database identifiers

CAS: 104326-93-4
PubChem CID: 3721849
DTXSID: DTXSID60395520
EC Number: 846-258-5

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 239.5 · 239.5±30.0 °C(Predicted)
Density: 1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.98 · 14.98±0.50(Predicted)
form: crystalline powder
color: Off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2924297099 · 2924297099

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)

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