Basic information
- CAS
19103-02-7- Standard SMILES
N=C1N(Cl)C2(c3ccccc3)N(Cl)C(=N)N(Cl)C2(c2ccccc2)N1Cl- InChIKey
CQICVMXENWMRGJ-UHFFFAOYSA-N- Molecular formula
- C16H12Cl4N6
- Average molar mass
- 430.1 g/mol
- Monoisotopic mass
- 427.987755
Names & identifiers
- Preferred name
- Imidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-
- IUPAC
- 1,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-diimine
- English name
- S-330
- Molecular formula
- C16H12Cl4N6
- Molecular weight
- 430.12
Names & synonyms
Imidazo(4,5-d)imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-1,3,4,6-Tetrachloro-2,5-diimino-7,8-diphenylglycolurilDTXSID70885083Imidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-Imidazo(4,5-d)imidazole, 1,3,4,6-tetrachlorooctahydro-2,5-diimino-3a,6a-diphenyl-RefChem:790703DTXCID00102448719103-02-7CQICVMXENWMRGJ-UHFFFAOYSA-N1,3,4,6-tetrachloro-3a,6a-diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1h,3h)-diimineSCHEMBL12427416S-330
Show more names
1,3,4,6-Tetrachloro-3a,6a-diphenyloctahydroimidazo[4,5-d]imidazole-2,5-diimine1,3,4,6-Tetrachloro-3a,6a-diphenyl-2,3,3a,4,5,6a-hexahydroimidazo[4,5-d]imidazole-2,5-diimine
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Melting point
- 50 · 50-60 °C (decomp)
- Boiling point
- 477.7 · 477.7±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- -12.38 · -12.38±0.60(Predicted)
- EPA Substance Registry System
- 4 · Imidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl- (19103-02-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationImidazo[4,5-d]imidazole-2,5(1H,3H)-diimine, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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