Basic information
- CAS
40640-31-1- Standard SMILES
Clc1ccc(N=Nc2cnn(-c3ccccc3)c2-c2ccccc2)cc1- InChIKey
KWIXZSACCQQVEB-UHFFFAOYSA-N- Molecular formula
- C21H15ClN4
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.0985242
Names & identifiers
- Preferred name
- 4-((4-Chlorophenyl)azo)-1,5-diphenyl-1H-pyrazole
- IUPAC
- (4-chlorophenyl)-(1,5-diphenylpyrazol-4-yl)diazene
- English name
- 1H-Pyrazole, 4-((4-chlorophenyl)azo)-1,5-diphenyl-
- Molecular formula
- C21H15ClN4
- Molecular weight
- 358.82
Names & synonyms
40640-31-14-((4-Chlorophenyl)azo)-1,5-diphenyl-1H-pyrazole1H-Pyrazole, 4-((4-chlorophenyl)azo)-1,5-diphenyl-NSC-75216NSC 752161H-Pyrazole, 4-[(4-chlorophenyl)azo]-1,5-diphenyl-BRN 0692319NSC75216SS6UQA2WSADTXSID7013848484-[2-(4-Chlorophenyl)diazenyl]-1,5-diphenyl-1H-pyrazole1H-Pyrazole, 4-[2-(4-chlorophenyl)diazenyl]-1,5-diphenyl-
Database identifiers
- CAS
40640-31-1- PubChem CID
- 96458
- DTXSID
DTXSID701384848- UNII
- SS6UQA2WSA
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 555.5 · 555.5±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -3.19 · -3.19±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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