10-Bromoanthracene-9-boronic acid
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Basic information
- CAS
641144-16-3- Standard SMILES
OB(O)c1c2ccccc2c(Br)c2ccccc12- InChIKey
FAVOIVPFJSKYBE-UHFFFAOYSA-N- Molecular formula
- C14H10BBrO2
- Average molar mass
- 300.94 g/mol
- Monoisotopic mass
- 299.99572206
Names & identifiers
- Preferred name
- 10-Bromoanthracene-9-boronic acid
- IUPAC
- (10-bromoanthracen-9-yl)boronic acid
- English name
- 10-BROMOANTHRACENE-9-BORONIC ACID
- Molecular formula
- C14H10BBrO2
- Molecular weight
- 300.94
Names & synonyms
10-Bromoanthracene-9-boronic acidRefChem:436998663-919-1641144-16-3(10-bromoanthracen-9-yl)boronic acidMFCD06411293SCHEMBL971772(10-bromoanthracen-9-yl)boronicacidAKOS015835573AB25204AS-32774C14H10BBrO2
Show more names
9-Bromoanthracen-10-boronic acid10-Bromoanthracen-9-boronic acid9-Bromoanthracene-10-boronic acidBoronic acid, B-(10-bromo-9-anthracenyl)-
10-Bromoanthracene-9-boronic acid(contains varying amounts of Anhydride)10-Bromoanthrac(10-bromo-9-anthryl)boronic acidAMY2285510-BROMOANTHRACEN-9-YLBORONIC ACIDFT-0736689DTXSID00584416FAVOIVPFJSKYBE-UHFFFAOYSA-N
Database identifiers
- CAS
641144-16-3- PubChem CID
- 16217487
- DTXSID
DTXSID00584416- EC Number
- 663-919-1
- Nikkaji
- J2.587.056E
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 165 · 165-169 °C (lit.)
- Boiling point
- 525.3 · 525.3±42.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 8.29 · 8.29±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C14H10BBrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8,17-18H
- InChIKey
- FAVOIVPFJSKYBE-UHFFFAOYSA-N
- SMILES
- OB(O)c1c2ccccc2c(Br)c3ccccc13
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2931900090 · 2931900090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 38 reports by companies from 1 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
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:Suzuki cross-coupling reactionsPalladium-catalyzed 1,4-addition reactions
Related reactions
1 records
Compound notes
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