1-Chloro-4-(4-fluorophenyl)phthalazine
Basic information
- CAS
155937-28-3- 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 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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