C.I. Vat Brown 22
Basic information
- CAS
8005-30-9- Standard SMILES
O=c1c2ccc3c(=O)n4c5cc(Cl)ccc5nc4c4ccc(c2c34)c2nc3ccc(Cl)cc3n12- InChIKey
NHVRYPRPUHOVMR-UHFFFAOYSA-N- Molecular formula
- C26H10Cl2N4O2
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.018081
Names & identifiers
- Preferred name
- C.I. Vat Brown 22
- IUPAC
- 7,20-dichloro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dione
- English name
- Vat Brown 22
- Molecular formula
- C26H10Cl2N4O2
- Molecular weight
- 481.2892
Names & synonyms
C.I. Vat Brown 228005-30-9EINECS 232-336-0RefChem:122498Vat Brown 227,20-dichloro-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,18(23),19,21,24,26(30),27-tridecaene-11,16-dioneNHVRYPRPUHOVMR-UHFFFAOYSA-NNS00021364C.I.Vat Brown 22:C.I.71115C.I. Vat Brown 22(7CI,8CI,9CI)Vat Brown 22 ISO 9001：2015 REACHBisbenzimidazobenzo[lmn][3,8]phenanthrolinedione, dichloro-
Show more names
3,12-Dichlorobisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanth roline-6,9-dione
Database identifiers
- CAS
8005-30-9- PubChem CID
- 92030577
- EC Number
- 232-336-0
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 847
Physicochemical properties
- EPA Substance Registry System
- 22 · C.I. Vat Brown 22 (8005-30-9)
- 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.
Hazard information
Regulatory InformationChemical: C.I. Vat Brown 22
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationC.I. Vat Brown 22: INACTIVE
Preparation methods
PreparationNaphthalene-1,4,5,8-tetracarboxylic acid and 4-Chlorobenzene-1,2-diaminein Acetic acid glacial or Pyridine of condensation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…