CAS 511295-01-5|2,3,5,6-tetrafluorophenylboronic acid|2,3,5,6-Tetrafluorobenzeneboronic acid|(2,3,5,6-tetrafluorophenyl)boronic acid|2,3,5,6-Tetrafluorophenylboronic acid|2,3,5,6-Tetrafluorophenylbo...

Molecular Formula

C₆H₃BF₄O₂

Molecular Mass

193.8914328

Exact Mass

194.01622262

InChI

InChI=1S/C6H3BF4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,12-13H

InChIKey

SORPNEUIIZJCBF-UHFFFAOYSA-N

Canonic Smiles

Fc1cc(F)c(c(c1F)B(O)O)F

Isomeric Smiles

B(c1c(c(cc(c1F)F)F)F)(O)O

JChem

Acid pKa

7.398966

H Acceptors

H Donor

LogD (pH = 5.5)

2.1923828

LogD (pH = 7.4)

1.8961992

Log P

2.1978

Molar Refractivity

31.4691

Polarizability

12.876942

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2783275

IUPAC Traditional name

2,3,5,6-tetrafluorophenylboronic acid

Synonyms

2,3,5,6-Tetrafluorobenzeneboronic acid2,3,5,6-Tetrafluorophenylboronic acid2,3,5,6-四氟苯硼酸2,3,5,6-Tetrafluorophenylboronic acid2,3,5,6-Tetrafluorobenzeneboronic acid

IUPAC name

(2,3,5,6-tetrafluorophenyl)boronic acid

CAS Number

MDL Number

PubChem SID

Beilstein Number

Physical Property

Melting Point

143-145°C

ca 140-145°C

Safety Information

Storage Warning

Irritant/Keep Cold/Store under Argon

GHS Hazard statements

H315-H319-H335

Irritant (Xi)

P280G-P305+P351+P338

否

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

26-37

36/37/38

Product Information

99%

98%

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Academic Data

PubChem

2783275

IUPAC Traditional name

2,3,5,6-tetrafluorophenylboronic acid

Synonyms

2,3,5,6-Tetrafluorobenzeneboronic acid2,3,5,6-Tetrafluorophenylboronic acid2,3,5,6-四氟苯硼酸2,3,5,6-Tetrafluorophenylboronic acid2,3,5,6-Tetrafluorobenzeneboronic acid

IUPAC name

(2,3,5,6-tetrafluorophenyl)boronic acid

CAS Number

MDL Number

PubChem SID

Beilstein Number

No Data Available

Click here to submit data

Physical Property

Melting Point

143-145°C

ca 140-145°C

Safety Information

Storage Warning

Irritant/Keep Cold/Store under Argon

GHS Hazard statements

H315-H319-H335

Irritant (Xi)

P280G-P305+P351+P338

否

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

26-37

36/37/38

Product Information

99%

98%

Molecule

ID:93802