3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-3-methyl-
Basic information
- CAS
81-85-6- Standard SMILES
Cn1c(=O)cc2c3c(c(Br)ccc31)C(=O)c1ccccc1-2- InChIKey
QTNAUUGQZYCWGQ-UHFFFAOYSA-N- Molecular formula
- C17H10BrNO2
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 338.98949
Names & identifiers
- Preferred name
- 3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-3-methyl-
- IUPAC
- 10-bromo-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
- English name
- 6-bromo-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione
- Molecular formula
- C17H10BrNO2
- Molecular weight
- 340.17
Names & synonyms
6-Bromo-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione6-Bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dioneEINECS 201-381-83H-Dibenz[f,ij]isoquinoline-2,7-dione, 6-bromo-3-methyl-3H-Dibenz(f,ij)isoquinoline-2,7-dione, 6-bromo-3-methyl-3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 6-bromo-3-methyl-3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-3-methyl-6-Bromo-3-methyl-3H-dibenz(f,ij)isoquinoline-2,7-dione6-Bromo-3-methyl-3H-naphtho(1,2,3-de)quinoline-2,7-dioneRefChem:505757201-381-881-85-6
Show more names
6-Brom-3-methyl-3H-dibenz[f,ij]isochinolin-2,7-dion3-Methyl-6-bromo-7H-dibenz[f,ij]isoquinoline-2,7(3H)-dione6-Bromo-2,3-dihydro-3-methyl-7H-dibenz[f,ij]isoquinoline-2,7-dione
6-bromo-3-methyl-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione10-bromo-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dioneF0020-1981C17H10BrNO2ChemDiv1_023986BM8D2P3VV2bromo-hydroxy-methyl-[?]oneOprea1_211150
Database identifiers
- CAS
81-85-6- PubChem CID
- 66492
- DTXSID
DTXSID5058856- UNII
- BM8D2P3VV2
- EC Number
- 201-381-8
- Nikkaji
- J9.325D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Melting point
- 282 °C · 282 °C
- Boiling point
- 528.7 · 528.7±50.0 °C(Predicted)
- Density
- 0.399 g/cm3 · 0.399g/cm3
- vapor pressure
- 0 · 0-0Pa at 25℃
- form
- Solid:particulate/powder
- pka
- -2.16 · -2.16±0.20(Predicted)
- InChI
- 1S/C17H10BrNO2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,1H3
- SMILES
- O=C1C2=C(Br)C=CC(N3C)=C2C(C4=CC=CC=C41)=CC3=O
- LogP
- 2.45 · 2.45
- FDA UNII
- 8 D2P3VV2 · BM8D2P3VV2
- EPA Substance Registry System
- 3 H-Dibenz[f,ij]isoquinoline-2,7-dione, · 3H-Dibenz[f,ij]isoquinoline-2,7-dione, 6-bromo-3-methyl- (81-85-6)
- TSCA
- TSCA listed
- HS Code
- 2933990099 · 2933990099
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 6-bromo-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione (EC: 201-381-8)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2933990099
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-3-methyl-: INACTIVE
Applications
Uses6-Bromo-3-methyl anthrapyridone is an important intermediate for manufacturing dyes soluble in organic solvents.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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