Benzoic acid, 2-benzoylhydrazide
Basic information
- CAS
787-84-8- Standard SMILES
O=C(NNC(=O)c1ccccc1)c1ccccc1- InChIKey
GRRIYLZJLGTQJX-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Overview
1,2-dibenzoylhydrazine is a carbohydrazide. It is functionally related to a benzohydrazide.
Names & identifiers
- Preferred name
- Benzoic acid, 2-benzoylhydrazide
- IUPAC
- N'-benzoylbenzohydrazide
- English name
- N,N'-Dibenzoylhydrazine
- Molecular formula
- C14H12N2O2
- Molecular weight
- 240.26
Names & synonyms
N,N'-Dibenzoylhydrazine787-84-81,2-DibenzoylhydrazineBenzoic acid, 2-benzoylhydrazideN2-Benzoylbenzoic acid hydrazideHYDRAZINE, 1,2-DIBENZOYL-C6H5-CO-NH-NH-CO-C6H5NSC 2762EINECS 212-329-9N3XBA6QS95BRN 0523810AI3-16232
Show more names
AURORA KA-4154HydrazodibenzoylAzelastine Impurity 71,2-dibenzoyl-hydrazinsym-Dibenzoylhydrazine1,2-BisbenzoylhydrazineN'-Benzoylbenzhydrazide
NSC-2762DTXSID7061142CHEBI:384534-09-00-00935 (Beilstein Handbook Reference)RefChem:565522DTXCID5048130N'-BenzoylbenzohydrazideDibenzoylhydrazine
Database identifiers
- CAS
787-84-8- PubChem CID
- 13085
- DTXSID
DTXSID7061142- ChEMBL
CHEMBL115405- ChEBI
CHEBI:38453- UNII
- N3XBA6QS95
- EC Number
- 212-329-9
- Nikkaji
- J30.976A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 238 · 238-240 °C(lit.)
- Boiling point
- 382.97 °C · 382.97°C (rough estimate)
- Density
- 1.1613 · 1.1613 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- very slightly in Solution of sodium hydroxide in water,Methanol
- form
- powder to crystal
- pka
- 10.7 · 10.70±0.23(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 787 · 787-84-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 XBA6QS95 · N3XBA6QS95
- EPA Substance Registry System
- 2 · Benzoic acid, 2-benzoylhydrazide (787-84-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- WGK Germany
- 3 · 3
- RTECS
- 2085000 · MV2085000
- TSCA
- TSCA listed
- HS Code
- 29280000 · 29280000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV2085000
- hs_code
- 29280000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-benzoylhydrazide: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 1,2-dibenzoylhydrazine is a carbohydrazide. It is functionally related to a benzohydrazide.
Related reactions
6 records
Compound notes
Loading…