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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4221248Generated: October 23, 2026

4,5-Dibromo-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene

4,5-dibromo-2,7-di-tert-butyl-9,9-dimethylxanthen · 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene · 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylanthracene · 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene · 9H-Xanthene, 4,5-dibromo-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl- · 4,5-Dibromo-9,9-Dimethyl-2,7-Bis(2-Methyl-2-Propanyl)-9H-Xanthene · (4R,4'R)-2,2'-((phenylphosphine)bis(2,1-phenylene))bis(4-phenyl-4,5-dihydrooxazole)

https://huagongshe.com/en/chemical/4221248

4,5-Dibromo-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene molecular structure

Identifiers & Physical Properties

CAS No.130525-43-8
Molecular formulaC23H28Br2O
Average molar mass480.3 g/mol
Monoisotopic mass478.05068972 g/mol
SMILESCC(C)(C)c1cc(Br)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(Br)c1O2
InChIKeyOJJSJAIHWCFVBK-UHFFFAOYSA-N
PubChem CID4221248
DTXSIDDTXSID00400985

Chemical & Physical Properties

XLogP9.1
Topological polar surface area9.2
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds2
Heavy atoms26
Formal charge0
Complexity471
Melting point260-262 °C(lit.)
Boiling point429.7±45.0 °C(Predicted)
Density1.329±0.06 g/cm3(Predicted)
Physical statesolid
InChIInChI=1S/C23H28Br2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,1-8H3
InChIKeyOJJSJAIHWCFVBK-UHFFFAOYSA-N
SMILESC1(C)(C)C2=C(C(Br)=CC(C(C)(C)C)=C2)OC2=C1C=C(C(C)(C)C)C=C2Br
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P305+P351+P338
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Storage class11 - Combustible Solids

Safety & Regulations

Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Signal wordWarning
GHS pictogramGHS07
Storage class11 - Combustible Solids
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P305+P351+P338

Applications & Uses

Uses

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene may be used in the synthesis of:2,7-di-tert-butyl-4,5-diiodo-9,9-dimethylxanthenenew NON-donor ligand, 4,5-bis(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylxanthenebis(diethylamino)xantphos, via one-pot metalation reaction and and quenching with bis(diethylamino)chlorophosphine

General Description

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene is a heterocyclic building block.