2-Fluorophenylboronic acid

HCID 2734354CAS 1993-03-9
Substructure searchFind similar structures

Basic information

Standard SMILES
OB(O)c1ccccc1F
InChIKey
QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular formula
C6H6BFO2
Average molar mass
139.92 g/mol
Monoisotopic mass
140.04448805

Names & identifiers

Preferred name
2-Fluorophenylboronic acid
IUPAC
(2-fluorophenyl)boronic acid
English name
2-Fluorophenylboronic acid
Molecular formula
C6H6BFO2
Molecular weight
139.92

Names & synonyms

2-Fluorophenylboronic acido-fluorophenylboronic acidRefChem:472651671-858-71993-03-9(2-fluorophenyl)boronic acid2-Fluorobenzeneboronic AcidBoronic acid, B-(2-fluorophenyl)-(2-fluorophenyl)boranediolMFCD00674013o-fluorobenzeneboronic acid2-fluorophenyl boronic acid
Show more names
2-Fluorophenylboronic2-Flurorphenylboronic acidAKOS BRN-01042-fluoroborateRARECHEM AH PB 02152-Fluorophenylboronio-FluorphenylborsaeureTavaborole Impurity 30uorobenzeneboronic acid
2-fluorobenzene boronic acid(2-fluorophenyl) boronic acid(2-Fluorophenyl)boronato(2-)34-03-7DTXSID30941836EN300-887182-FluorophenylboronicacidBORONIC ACID, (2-FLUOROPHENYL)-

Database identifiers

CAS
1993-03-9
PubChem CID
2734354
DTXSID
DTXSID30941836
ChEMBL
CHEMBL505047
UNII
4E2YNT8MZR
EC Number
671-858-7
Nikkaji
J1.088.588D

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
101 · 101-110 °C (lit.)
Boiling point
267.8 · 267.8±42.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
pka
8.32 · 8.32±0.58(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (90.9%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29319090
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

Uses2-Fluorophenylboronic Acid, is used in Rh-catalyzed enantioselective addition reactions, and Rhodium and Palladium-catalyzed substitution reactions. It can also be used in the preparation of phenylboronic catechol esters as promising anion receptors for polymer electrolytes.

UsesUsed for the preparation of biologically active biphenyls and arylboron difluoride Lewis acids.

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

532 records
New reaction record

Linked notes

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