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Basic information
- CAS
7477-67-0- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1C1C(=O)N(c2ccccc2)N=C1C- InChIKey
FORCWSNQDMPPOC-UHFFFAOYSA-N- Molecular formula
- C20H18N4O2
- Average molar mass
- 346.39 g/mol
- Monoisotopic mass
- 346.14297582
Names & identifiers
- Preferred name
- 4,4′-Bis(1-phenyl-3-methyl-5-pyrazolone)
- IUPAC
- 5,5'-Dimethyl-2,2'-diphenyl-2,2',4,4'-tetrahydro-3H,3'H-[4,4'-bipyrazole]-3,3'-dione
- English name
- BISPYRAZOLONE
- Molecular formula
- C20H18N4O2
- Molecular weight
- 346.38
Names & synonyms
NSC 37393NSC 401001BISPYRAZOLONEedaravone diMerBispyrazolone, GRBispyrazolone, 98+%Edaravone impurity ⅠEdaravone IMpurity IVLABOTEST-BB LT00008461Edaravone DiMer IMpurity
Database identifiers
- CAS
7477-67-0- PubChem CID
- 95807
- DTXSID
DTXSID00864068- ChEMBL
CHEMBL4961158- UNII
- P77NZ4BRC7
- EC Number
- 231-282-5
- Nikkaji
- J8.939G
Properties
Physicochemical properties
- Melting point
- 355 °C · 355 °C
- Boiling point
- 481.12 °C · 481.12°C (rough estimate)
- Density
- 1.31 · 1.31
- refractive index
- 1.662 · 1.6620 (estimate)
- storage temp.
- Refrigerator
- solubility
- 50 mg/mL, · formic acid: 50 mg/mL, clear, yellow
- pka
- 2.15 · 2.15±0.70(Predicted)
- form
- crystalline
- color
- tan
- BRN
- 572787 · 572787
- InChI
- 1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3
- InChIKey
- FORCWSNQDMPPOC-UHFFFAOYSA-N
- SMILES
- CC1=NN(c2ccccc2)C(=O)C1C3C(C)=NN(c4ccccc4)C3=O
- CAS DataBase Reference
- 7477 · 7477-67-0(CAS DataBase Reference)
- FDA UNII
- 77 NZ4BRC7 · P77NZ4BRC7
- EPA Substance Registry System
- 4 · [4,4'-Bi-3H-pyrazole]-3,3'-dione, 2,2',4,4'-tetrahydro-5,5'-dimethyl-2,2'-diphenyl- (7477-67-0)
- UNSPSC Code
- 41116105 · 41116105
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 g-P302+P352a-P321-P333+P313-P501a-P261-P272-P280-P302+P352+P333+P313+P363-P501 · P280g-P302+P352a-P321-P333+P313-P501a-P261-P272-P280-P302+P352+P333+P313+P363-P501
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29331990
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Precautionary statements
- P280g-P302+P352a-P321-P333+P313-P501a-P261-P272-P280-P302+P352+P333+P313+P363-P501
Chemistry & industry
Applications
UsesIt is applied as a reagent for the detection and determination of cyanide. It is also used in an experimental procedure, done in order to remove linamarin in starch from cassava roots, by using plant cell wall-degrading enzymes, xylanase and cellulase. It was also used for spectrophotometric determination and quantization of urea in urine samples. It is also used in assay of cyanogenic compounds and determination of ammonia.
UsesBispyrazolone is an impurity of Edaravone (E335000).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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