1-Chloro-4-(4-fluorophenyl)phthalazine

HCID 2115239CAS 155937-28-3

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(-c2nnc(Cl)c3ccccc23)cc1
InChIKey: LIFADULWFCVAQR-UHFFFAOYSA-N
Molecular formula: C14H8ClFN2
Average molar mass: 258.68 g/mol

Names & identifiers

Preferred name: 1-Chloro-4-(4-fluorophenyl)phthalazine
IUPAC: 1-chloro-4-(4-fluorophenyl)phthalazine
English name: 1-Chloro-4-(4-fluorophenyl)phthalazine
Molecular formula: C14H8ClFN2
Molecular weight: 258.68

Names & synonyms

1-chloro-4-(4-fluorophenyl)phthalazine155937-28-3MFCD06253841SCHEMBL1268020LIFADULWFCVAQR-UHFFFAOYSA-NSBB038629AKOS0002668794-chloro-1-(4-fluorophenyl)phthalazine1-chloro-4-(4-fluorophenyl)-phthalazine1-chloro-4-(4-fluoro-phenyl)-phthalazineEN300-093821-Chloro-4-(4-fluorophenyl)phthalazine, 97%

Show more names

AKOS BBS-00000824PHTHALAZINE, 1-CHLORO-4-(4-FLUOROPHENYL)-1-Chloro-4-(4-fluorophenyl)phthalazine,96%

F346682Z56985798F9995-0258

Database identifiers

CAS: 155937-28-3
PubChem CID: 2115239
EC Number: 691-931-7

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 281

Physicochemical properties

Melting point: 196 · 196-197℃
Boiling point: 440.8 · 440.8±35.0 °C(Predicted)
Density: 1.351 · 1.351±0.06 g/cm3(Predicted)
pka: 0.93 · 0.93±0.30(Predicted)
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

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.