2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
Basic information
- CAS
30363-03-2- Standard SMILES
Brc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1- InChIKey
WZYVDGDZBNQVCF-UHFFFAOYSA-N- Molecular formula
- C21H12Br3N3
- Average molar mass
- 546.1 g/mol
- Monoisotopic mass
- 542.85814
Names & identifiers
- Preferred name
- 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(4-bromophenyl)-1,3,5-triazine
- English name
- 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
- Molecular formula
- C21H12Br3N3
- Molecular weight
- 546.05
Names & synonyms
30363-03-22,4,6-Tris(4-bromophenyl)-1,3,5-triazineDTXSID00275256RefChem:245913DTXCID00226703675-847-82,4,6-Tris-(4-bromo-phenyl)-[1,3,5]triazine1,3,5-Triazine, 2,4,6-tris(4-bromophenyl)-2,4,6-Tris-(4-bromophenyl)[1,3,5]triazinetris(4-bromophenyl)-1,3,5-triazineMFCD041163121,3,5-Triazine,2,4,6-tris(4-bromophenyl)-
Show more names
2,4,6-Tris(p-bromophenyl)triazine6-TRIS(4-BROMOPHENYL)-12,4,6-TRIS(P-BROMOPHENYL)-S-TRIAZINE4,6-tris(4-bromophenyl)-1,3,5-Triazine2,4,6-TRI-(4''-BROMOPHENYL)-1,3,5-TRIAZINE2,4,6-Tris(4-Bromophenyl)-1,3,5-Triazine,>97%
SY0507132,4,6-tris(4-bromo-phenyl)-[1,3,5]-triazine2,4,6-tris-(4-bromo-phenyl)-[1,3,5]-triazine2,?4,?6-?Tris-?(4-?bromophenyl)?[1,?3,?5]?triazine2,4,6-tri(4-bromophenyl)-1,3,5-triazine2,4,6-tri-(4'-bromophenyl)-1,3,5-triazineSCHEMBL2801074AKOS015920484
Database identifiers
- CAS
30363-03-2- PubChem CID
- 35224
- DTXSID
DTXSID00275256- EC Number
- 675-847-8
- Nikkaji
- J1.519.012D
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: chloroform (67-66-3))
- Boiling point
- 633.4 · 633.4±65.0 °C(Predicted)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Very Slightly, Heated)
- form
- Solid
- pka
- -0.01 · -0.01±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
- InChIKey
- WZYVDGDZBNQVCF-UHFFFAOYSA-N
- SMILES
- N1=C(C2=CC=C(Br)C=C2)N=C(C2=CC=C(Br)C=C2)N=C1C1=CC=C(Br)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.69.6050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses2,4,6-Tris-(4-bromophenyl)[1,3,5]triazine is a reagent used in the preparation of donor-acceptor dyads for enhancing the ability of charge carriers. Also a component in the discovery of dye-sensitized solar cells.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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