2,6-Dibromo-1,5-naphthalenediol
Basic information
- CAS
84-59-3- Standard SMILES
Oc1c(Br)ccc2c(O)c(Br)ccc12- InChIKey
GHJUWGHWJYULLK-UHFFFAOYSA-N- Molecular formula
- C10H6Br2O2
- Average molar mass
- 317.96 g/mol
- Monoisotopic mass
- 315.87345
Names & identifiers
- Preferred name
- 2,6-Dibromo-1,5-naphthalenediol
- IUPAC
- 2,6-dibromonaphthalene-1,5-diol
- English name
- 2,6-Dibromo-1,5-dihydroxynaphthalene
- Molecular formula
- C10H6Br2O2
- Molecular weight
- 317.96
Names & synonyms
2,6-Dibromonaphthalene-1,5-diol84-59-32,6-Dibromo-1,5-dihydroxynaphthalene2,6-Dibromo-1,5-naphthalenediol1,5-Naphthalenediol, 2,6-dibromo-D3BHJ6NH78NSC-62684DTXSID00232889RefChem:83126DTXCID80155380GHJUWGHWJYULLK-UHFFFAOYSA-NMFCD00021473
Show more names
2,6-dibromo-5-naphthalenediol2,6-Dibromo-1,5-dihydroxynaphthalene>
NSC 626841, 2,6-dibromo-NSC62684WLN: L66J BQ CE GQ HE1,5-Dihydroxy-2,6-dibromonaphthaleneAKOS003602218CS-0157296D85425
Database identifiers
- CAS
84-59-3- PubChem CID
- 96260
- DTXSID
DTXSID00232889- UNII
- D3BHJ6NH78
- EC Number
- 201-543-8
- Nikkaji
- J40.503E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 397.4 · 397.4±37.0 °C(Predicted)
- Density
- 2.081 · 2.081±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 6.19 · 6.19±0.50(Predicted)
- color
- Light yellow to Amber to Dark green
- CAS DataBase Reference
- 84 · 84-59-3(CAS DataBase Reference)
- FDA UNII
- 3 BHJ6NH78 · D3BHJ6NH78
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- hs_code
- 2908.19.6000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2,6-Dibromo-1,5-naphthalenediol is a useful synthetic intermediate. It is used to prepare semiconducting polyphenyls and polythiophenes via microwave-assisted Suzuki and Stille cross-coupling reactions. It is also used to prepare and polymerize adamantane or phenylenevinylene or naphthalenevinylene-containing monomers.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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