5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene
Basic information
- CAS
56849-84-4- Standard SMILES
BrC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1- InChIKey
HCSNYWQHJSONEK-UHFFFAOYSA-N- Molecular formula
- C35H25Br
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 524.11396
Names & identifiers
- Preferred name
- 5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene
- IUPAC
- (1-bromo-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
- English name
- 5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene
- Molecular formula
- C35H25Br
- Molecular weight
- 525.48
Names & synonyms
5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene56849-84-4DTXSID40348317RefChem:301371DTXCID30299389(1-bromo-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene1-bromo-1,2,3,4,5-pentaphenylcyclopenta-2,4-dienebromopentaphenylcyclopentadiene5-Brom-1,2,3,4,5-pentaphenyl-cyclopenta-1,3-dienSCHEMBL14089297AKOS003670619DB-052976
Show more names
(1-bromo-2,3,4,5-tetraphenyl-1-cyclopenta-2,4-dienyl)benzene5-BROMO-1,2,3,4,5-PENTAPHENYL-1,3-CYCLOP ENTADIENE, TECH., 90%
5-Bromo-1,2,3,4,5-pentaphenylcyclopenta-1,3-diene5-Bromo-1,2,3,4,5-pentaphenyl-cyclopenta-1,3-diene(3-Bromo-2,3,4,5-tetraphenyl-1,4-cyclopentadien-1-yl)benzene #5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene, technical grade, 90%1,1',1'',1''',1''''-(5-Bromocyclopenta-1,3-diene-1,2,3,4,5-pentayl)pentabenzeneBenzene, 1,1',1'',1''',1''''-(5-bromo-1,3-cyclopentadiene-1,2,3,4,5-pentayl)pentakis-
Database identifiers
- CAS
56849-84-4- PubChem CID
- 635002
- DTXSID
DTXSID40348317- Nikkaji
- J1.405.050G
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
Physicochemical properties
- Melting point
- 188 · 188-190 °C (lit.)
- Boiling point
- 603.4 · 603.4±55.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C35H25Br/c36-35(30-24-14-5-15-25-30)33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29/h1-25H
- InChIKey
- HCSNYWQHJSONEK-UHFFFAOYSA-N
- SMILES
- BrC2(c1ccccc1)C(c3ccccc3)=C(c4ccccc4)C(c5ccccc5)=C2c6ccccc6
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses5-Bromo-1,2,3,4,5-pentaphenyl-1,3-cyclopentadiene was used in preparation of ferrocenes.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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