Basic information
- CAS
82632-80-2- Standard SMILES
Brc1cc2c3cc(Br)c(Br)cc3c3cc(Br)c(Br)cc3c2cc1Br- InChIKey
GLHQUXLCQLQNPZ-UHFFFAOYSA-N- Molecular formula
- C18H6Br6
- Average molar mass
- 701.7 g/mol
- Monoisotopic mass
- 695.55697279
Names & identifiers
- Preferred name
- 2,3,6,7,10,11-Hexabromotriphenylene
- IUPAC
- 2,3,6,7,10,11-hexabromotriphenylene
- English name
- 2,3,6,7,10,11-hexabromobenzo[9,10]phenanthrene
- Molecular formula
- C18H6Br6
- Molecular weight
- 701.66
Names & synonyms
2,3,6,7,10,11-hexabromotriphenylene82632-80-2DTXSID60454505RefChem:244231DTXCID50405324680-110-9Triphenylene, 2,3,6,7,10,11-hexabromo-MFCD09834716C18H6Br6SCHEMBL311663AKOS015835444CS-W011403
Show more names
2,3,6,7,10,11-Hexabromotriphenylene>2,3,6,7,10,11-Hexabromobenzophenanthrene2,3,6,7,10,11-hexabromobenzo[9,10]phenanthrene
SB66589AS-63553SY055475H12012,3,6,7,10,11-Hexabromotriphenylene, 98+ PercentYSZC310FT-0696766SCHEMBL29814086
Database identifiers
- CAS
82632-80-2- PubChem CID
- 11083045
- DTXSID
DTXSID60454505- EC Number
- 680-110-9
- Nikkaji
- J2.141.506E
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 689.8 · 689.8±50.0 °C(Predicted)
- Density
- 2.428 · 2.428±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- color
- White to Light yellow to Light red
- InChI
- InChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H
- InChIKey
- GLHQUXLCQLQNPZ-UHFFFAOYSA-N
- SMILES
- C1=C2C(C3C(C4C2=CC(Br)=C(Br)C=4)=CC(Br)=C(Br)C=3)=CC(Br)=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 29039990 · 29039990
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,3,6,7,10,11-Hexabromobenzo[9,10]phenanthrene is used as an intermediate in the synthesis of MOF material ligands or COF material monomers.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
1 records
Compound notes
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