CAS
849062-37-9 Purity
98%
849062-37-9 Purity
98%
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2-Methyl-4-(trifluoromethoxy)benzeneboronic acid
CAS
850033-39-5
Catalog Number
ACM850033395
Category
Boronic Acids
Molecular Weight
219.9535296
Molecular Formula
C8H8O3BF3
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Specification
Synonyms
850033-39-5, 2-methyl-4-(trifluoromethoxy)phenylboronic acid, 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid, ACMC-209pza, SureCN769093, CTK5F3669, MolPort-001-776-963, ANW-37940, PC7578, SBB095862, AKOS015842385, AG-H-40693, AK-40442, KB-25347, V1841, 2-Methyl-4-trifluoromethoxyphenylboronic acid,, B-4767, [2-methyl-4-(trifluoromethoxy)phenyl]boronic acid, A841047, [2-methyl-4-(trifluoromethyloxy)phenyl]boronic acid
IUPAC Name
[2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)C)(O)O
InChI Key
VZNGQLGNHIYWOD-UHFFFAOYSA-N
Boiling Point
280.8ºC at 760 mmHg
Flash Point
123.6ºC
Density
1.36g/cm³
Exact Mass
220.05200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
6
H-Bond Donor
2
What is the PubChem CID for 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
PubChem CID: 44717686
What is the molecular formula of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
Molecular Formula: C8H8BF3O3
What is the molecular weight of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
Molecular Weight: 219.96 g/mol
What is the IUPAC name of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
IUPAC Name: [2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
What is the InChI of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
InChI: InChI=1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
What is the InChIKey of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
InChIKey: VZNGQLGNHIYWOD-UHFFFAOYSA-N
What is the canonical SMILES of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
Canonical SMILES: B(C1=C(C=C(C=C1)OC(F)(F)F)C)(O)O
What is the CAS number of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
CAS: 850033-39-5
What is the European Community (EC) number of 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid?
EC Number: 689-322-6
Is 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid a canonicalized compound?
Yes, it is canonicalized.
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