10-Bromoanthracene-9-boronic acid

HCID 16217487CAS 641144-16-3
Substructure searchFind similar structures

Basic information

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 properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications

UsesReactant for:Suzuki cross-coupling reactionsPalladium-catalyzed 1,4-addition reactions

Suppliers50 total

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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