(2,3-Difluorophenyl)boronic acid

HCID 2734333CAS 121219-16-7
Substructure searchFind similar structures

Basic information

Standard SMILES
OB(O)c1cccc(F)c1F
InChIKey
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
Molecular formula
C6H5BF2O2
Average molar mass
157.91 g/mol
Monoisotopic mass
158.0350659

Names & identifiers

Preferred name
(2,3-Difluorophenyl)boronic acid
IUPAC
(2,3-difluorophenyl)boronic acid
English name
2,3-Difluorophenylboronic acid
Molecular formula
C6H5BF2O2
Molecular weight
157.91

Names & synonyms

2,3-Difluorophenylboronic acid121219-16-7(2,3-difluorophenyl)boronic AcidDTXSID90370224RefChem:442137DTXCID80321260685-121-22,3-Difluorobenzeneboronic AcidMFCD018631702,3-Difluorophenylboronicacid(2,3-Difluorophenyl)BoranediolBoronic acid, (2,3-difluorophenyl)-
Show more names
2,3-DiflRARECHEM AH PB 01662,3-DifluorophenylboDifluorophenylboronic aci2,3-difluorobenzorbic acid2,3-FLUOROBENZENE BORONIC ACID2,3-Dilfuorophenylboronic acid2,3-Difluorobenzeneboronicacid98%
difluorophenylboronic acidSCHEMBL43842,3 difluorophenyl boronic acid2,3-difluoro phenylboronic acid2,3-difluoro-phenylboronic acid2,3-difluorophenyl boronic acidSCHEMBL293990462,3-difluoro benzeneboronic acid

Database identifiers

CAS
121219-16-7
PubChem CID
2734333
DTXSID
DTXSID90370224
EC Number
601-759-6、685-121-2
Nikkaji
J720.576G

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
95 °C · 95 °C (dec.) (lit.)
Boiling point
274.8 · 274.8±50.0 °C(Predicted)
Density
1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
pka
7.29 · 7.29±0.58(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (11.1%)；Skin Irrit. 2 (88.9%)；Eye Irrit. 2A (88.9%)；STOT SE 3 (77.8%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29163990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

Uses2,3-Difluorophenylboronic acid is a useful reagent for the preparation of pharmaceutical and biologically active molecules.

UsesIntermediates of Liquid Crystals

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]
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]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

118 records
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Linked notes

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