Basic information
- CAS
56813-52-6- Standard SMILES
Clc1nnc(NN=Cc2ccccc2)c2ccccc12- InChIKey
XWEDVIXMINEDLB-UHFFFAOYSA-N- Molecular formula
- C15H11ClN4
- Average molar mass
- 282.73 g/mol
- Monoisotopic mass
- 282.0672241
Names & identifiers
- Preferred name
- N-(Benzylideneamino)-4-chloro-phthalazin-1-amine
- IUPAC
- N-(benzylideneamino)-4-chlorophthalazin-1-amine
- English name
- Benzaldehyde, 2-(4-chloro-1-phthalazinyl)hydrazone
- Molecular formula
- C15H11ClN4
- Molecular weight
- 282.73
Names & synonyms
56813-52-6N-(BENZYLIDENEAMINO)-4-CHLORO-PHTHALAZIN-1-AMINESCHEMBL2491606DTXSID50346107HMS2461D031-(2-Benzylidenehydrazin-1-yl)-4-chlorophthalazineBENZALDEHYDE (4-CHLORO-1-PHTHALAZINYL)HYDRAZONEBenzaldehyde, 2-(4-chloro-1-phthalazinyl)hydrazone
Database identifiers
- CAS
56813-52-6- PubChem CID
- 609646
- DTXSID
DTXSID50346107- EC Number
- 134-959-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 174 · 174-175 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 529.2 · 529.2±43.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.70(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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