5-(4-Fluorophenyl)-1H-pyrazole-3-carboxylic acid 2-(2-bromo-3-phenyl-2-propen-1-ylidene)hydrazide
Basic information
- CAS
767316-85-8- Standard SMILES
O=C(NN=CC(Br)=Cc1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1- InChIKey
QWIFAWVKGUBFEG-UHFFFAOYSA-N- Molecular formula
- C19H14BrFN4O
- Average molar mass
- 413.2 g/mol
- Monoisotopic mass
- 412.0335
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-1H-pyrazole-3-carboxylic acid 2-(2-bromo-3-phenyl-2-propen-1-ylidene)hydrazide
- IUPAC
- N-[(2-bromo-3-phenylprop-2-enylidene)amino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
- English name
- SALOR-INT L477834-1EA
- Molecular formula
- C19H14BrFN4O
- Molecular weight
- 413.24
Names & synonyms
5-(4-Fluorophenyl)-1H-pyrazole-3-carboxylic acid 2-(2-bromo-3-phenyl-2-propen-1-ylidene)hydrazideRefChem:299942767316-85-8DTXSID701115489N'-(2-Bromo-3-phenylprop-2-en-1-ylidene)-5-(4-fluorophenyl)-1H-pyrazole-3-carbohydrazideSALOR-INT L477834-1EAN'-(2-BR-3-PH-2-PROPENYLIDENE)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-(2-BR-3-PH-2-PROPENYLIDENE)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-[(1E,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(4-fluorophenyl)-, 2-(2-bromo-3-phenyl-2-propen-1-ylidene)hydrazide
Database identifiers
- CAS
767316-85-8- PubChem CID
- 3395435
- DTXSID
DTXSID701115489- EC Number
- 655-281-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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