1,5-Diphenylcarbazone
Basic information
- CAS
119295-40-8- Standard SMILES
O=C(N=Nc1ccccc1)NNc1ccccc1- InChIKey
ZFWAHZCOKGWUIT-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Overview
See also: Diphenylcarbazone (annotation moved to).
Names & identifiers
- Preferred name
- 1,5-Diphenylcarbazone
- IUPAC
- 1-anilino-3-phenyliminourea
- English name
- Diphenylcarbazone
- Molecular formula
- C13H12N4O
- Molecular weight
- 240.26
Names & synonyms
Diphenylcarbazone1,5-Diphenylcarbazone538-62-5Diazenecarboxylic acid, phenyl-, 2-phenylhydrazide1-anilino-3-phenyliminoureaPhenylazoformic acid 2-phenylhydrazide(E)-1,5-DiphenylcarbazoneDiphenylcarbazone, (E)-Diphenylcarbazone, (Z)-Diphenylcarbazone (E)-formsym-DiphenylcarbazoneDiphenylcarbazone [MI]
Show more names
S-DIPHENYLCARBAZONE>60%(HPLC)2-PhenylhydrazideDiphneylcarbazoneDiphenylCarbazoneGrTIMTEC-BB SBB0087155-DiphenylcarbazoneDIPHENYLCARBAZONE TS
3-Hydroxy-1,5-diphenylformazanEINECS 208-698-05UYJ4R0D5TCHEMBL79409119295-41-9FORMIC ACID, (PHENYLAZO)-, 2-PHENYLHYDRAZIDEMFCD0000302496YS88318X
Database identifiers
- CAS
119295-40-8、119295-41-9、538-62-5- PubChem CID
- 10860
- DTXSID
DTXSID5060225- ChEMBL
CHEMBL79409- UNII
- 5UYJ4R0D5T、96YS88318X
- Nikkaji
- J82.129B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 119 · 119-123 °C(lit.)
- Boiling point
- 382.98 °C · 382.98°C (rough estimate)
- Density
- 1.19 · 1.19±0.1 g/cm3 (20 ºC 760 Torr)
- bulk density
- 380 kg/m3 · 380kg/m3
- refractive index
- 1.612 · 1.6120 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.83 · 9.83±0.43(Predicted)
- form
- Powder
- color
- Orange
- Water Solubility
- Soluble in acetone. Insoluble in water.
- Merck
- 14 · 14,3322
- CAS DataBase Reference
- 538 · 538-62-5(CAS DataBase Reference)
- FDA UNII
- 96 YS88318X · 96YS88318X
- EPA Substance Registry System
- 2 · Diazenecarboxylic acid, phenyl-, 2-phenylhydrazide (538-62-5)
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
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LQ9420000
- ridadr
- 1325
- hs_code
- 29280000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesIndicator
UsesIt is a reagent for mercury determination.
UsesAs a sensitive reagent for Hg, with which it gives a blue color.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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