Di-2-pyridyl ketone benzoylhydrazone
Basic information
- CAS
101342-95-4- Standard SMILES
O=C(NN=C(c1ccccn1)c1ccccn1)c1ccccc1- InChIKey
JKDNNYIZVUOWOE-UHFFFAOYSA-N- Molecular formula
- C18H14N4O
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.11676108
Names & identifiers
- Preferred name
- Di-2-pyridyl ketone benzoylhydrazone
- IUPAC
- N-(dipyridin-2-ylmethylideneamino)benzamide
- English name
- Di-2-pyridyl ketone benzoylhydrazone
- Molecular formula
- C18H14N4O
- Molecular weight
- 302.33
Names & synonyms
101342-95-4Di-2-pyridyl ketone benzoylhydrazoneDTXSID40350859RefChem:586004DTXCID80301926682-884-3N'-(Di-2-pyridylmethylene)benzohydrazideN-(dipyridin-2-ylmethylideneamino)benzamideBenzoic acid, (di-2-pyridinylmethylene)hydrazideCHEMBL239970SCHEMBL1028452H60948
Show more names
DI-2-PYRIDYL KETONE BENZOYLHYDRAZONE, 98 %Benzoic acid, 2-(di-2-pyridinylmethylene)hydrazide
N'-[Di(pyridin-2-yl)methylidene]benzohydrazideN inverted exclamation marka-(Di-2-pyridylmethylene)benzohydrazide
Database identifiers
- CAS
101342-95-4- PubChem CID
- 688285
- DTXSID
DTXSID40350859- ChEMBL
CHEMBL239970- EC Number
- 682-884-3
- Nikkaji
- J460.838K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 132 °C · 132 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 10.48 · 10.48±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 38 reports by companies from 1 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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