CAS
871329-62-3 Purity
96%
871329-62-3 Purity
96%
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4-Ethoxy-3-trifluoromethylphenylboronic acid
CAS
871329-83-8
Catalog Number
ACM871329838
Category
Boronic Acids
Molecular Weight
233.98
Molecular Formula
C9H10 B F3 O3
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Specification
Synonyms
871329-83-8, 4-ETHOXY-3-TRIFLUOROMETHYLPHENYLBORONIC ACID, 4-ETHOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 3-Borono-6-ethoxybenzotrifluoride, SBB071261, AG-F-04361, 4-ETHOXY-3-(TRIFLUOROMETHYL)BENZENEBORONIC ACID, [4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid, ACMC-209qgq, SureCN3113375, CTK4G6930, MolPort-001-771-775, ANW-38568, AKOS015838839, AB30773, AG-H-51495, RL05415, AK-45515, KB-38508, KB-191265
IUPAC Name
[4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OCC)C(F)(F)F)(O)O
InChI Key
SHCPXHBLEGXHIV-UHFFFAOYSA-N
Boiling Point
333.9ºC at 760 mmHg
Flash Point
155.8ºC
Density
1.31g/cm³
Exact Mass
234.06800
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The molecular formula is C9H10BF3O3.
What is the molecular weight of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The molecular weight is 233.98 g/mol.
What is the IUPAC name of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The IUPAC name is [4-ethoxy-3-(trifluoromethyl)phenyl]boronic acid.
What is the InChI of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The InChI is InChI=1S/C9H10BF3O3/c1-2-16-8-4-3-6(10(14)15)5-7(8)9(11,12)13/h3-5,14-15H,2H2,1H3.
What is the InChIKey of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The InChIKey is SHCPXHBLEGXHIV-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)OCC)C(F)(F)F)(O)O.
What is the CAS number of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The CAS number is 871329-83-8.
What is the European Community (EC) number of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The European Community (EC) number is 696-560-4.
What is the DSSTox Substance ID of 4-Ethoxy-3-trifluoromethylphenylboronic acid?
The DSSTox Substance ID is DTXSID00659395.
Is 4-Ethoxy-3-trifluoromethylphenylboronic acid a canonicalized compound?
Yes, 4-Ethoxy-3-trifluoromethylphenylboronic acid is a canonicalized compound.
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