2-Benzyloxy-5-trifluoromethylphenylboronic acid

HCID 23005339
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Basic information

CAS
612833-41-7
Standard SMILES
OB(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIKey
NWZHBEJEZSNEIF-UHFFFAOYSA-N
Molecular formula
C14H12BF3O3
Average molar mass
296.05 g/mol
Monoisotopic mass
296.0831593

Names & identifiers

Preferred name
2-Benzyloxy-5-trifluoromethylphenylboronic acid
IUPAC
[2-phenylmethoxy-5-(trifluoromethyl)phenyl]boronic acid
English name
2-(Benzyloxy)-5-(trifluoromethyl)phenylboronic acid
Molecular formula
C14H12BF3O3
Molecular weight
296.05

Names & synonyms

612833-41-72-BENZYLOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID2-(benzyloxy)-5-(trifluoromethyl)phenylboronic acid(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)boronic acidMFCD06801696[2-phenylmethoxy-5-(trifluoromethyl)phenyl]boronic acid6-Benzyloxy-3-(trifluoromethyl)phenylboronic acid[2-Benzyloxy-5-(trifluoromethyl)phenyl]boronic acid[2-(benzyloxy)-5-(trifluoromethyl)phenyl]boronic acidSCHEMBL1950920SCHEMBL299522902-BENZYLOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
Show more names
oxy-5-trifLAKOS BRN-05692-Benzyloxy-5-(trifluoroMethyl)benzeneboronic acid, 97%Boronic acid, B-[2-(phenylmethoxy)-5-(trifluoromethyl)phenyl]-Boronicacid, [2-(phenylMethoxy)-5-(trifluoroMethyl)phenyl]- (9CI)
DTXSID70629626AKOS004119235AB30101BS-28955DB-020560N121852-benzyloxy-5-trifluoromethylbenzeneboronic acid2-benzyloxy-5-trifluoromethyl-phenyl-boronic acid

Database identifiers

CAS
612833-41-7
PubChem CID
23005339
DTXSID
DTXSID70629626

Properties

Computed structural properties

Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Physicochemical properties

Boiling point
434.9 · 434.9±55.0 °C(Predicted)
Density
1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
7.59 · 7.59±0.53(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H317-H319
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Usessuzuki reaction

Suppliers52 total

T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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