CAS
850568-04-6 Purity
98%
850568-04-6 Purity
98%
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4-Ethoxy-3-methylbenzeneboronic acid
CAS
850568-08-0
Catalog Number
ACM850568080
Category
Boronic Acids
Molecular Weight
180.01
Molecular Formula
C9H13BO3
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Specification
Synonyms
4-ETHOXY-3-METHYLPHENYLBORONIC ACID, 850568-08-0, 4-Ethoxy-3-methylbenzeneboronic acid, SBB071095, (4-ethoxy-3-methylphenyl)boronic acid, AG-H-41243, (4-ethoxy-3-methyl-phenyl)boronic Acid, AC1MOGD4, SureCN3659031, ACMC-209q18, CTK5F3939, MolPort-000-931-726, ANW-38010, 4-Ethoxy-3-methylphenylboronic acid,, AKOS004113855, AB26516, RL05247, AK-42654, KB-38513, N306
IUPAC Name
(4-ethoxy-3-methylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OCC)C)(O)O
InChI Key
GAFSYSHEDOIUSI-UHFFFAOYSA-N
Boiling Point
333.1ºC at 760 mmHg
Melting Point
168-172ºC
Flash Point
155.2ºC
Density
1.11g/cm³
Exact Mass
180.09600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 4-Ethoxy-3-methylbenzeneboronic acid?
The molecular formula is C9H13BO3.
What is the molecular weight of 4-Ethoxy-3-methylbenzeneboronic acid?
The molecular weight is 180.01 g/mol.
What is the IUPAC name of 4-Ethoxy-3-methylbenzeneboronic acid?
The IUPAC name is (4-ethoxy-3-methylphenyl)boronic acid.
What is the InChI of 4-Ethoxy-3-methylbenzeneboronic acid?
The InChI is InChI=1S/C9H13BO3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6,11-12H,3H2,1-2H3.
What is the InChIKey of 4-Ethoxy-3-methylbenzeneboronic acid?
The InChIKey is GAFSYSHEDOIUSI-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Ethoxy-3-methylbenzeneboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)OCC)C)(O)O.
What is the CAS number of 4-Ethoxy-3-methylbenzeneboronic acid?
The CAS number is 850568-08-0.
What is the European Community (EC) number of 4-Ethoxy-3-methylbenzeneboronic acid?
The EC number is 694-915-8.
What is the DSSTox Substance ID of 4-Ethoxy-3-methylbenzeneboronic acid?
The DSSTox Substance ID is DTXSID10391633.
Is 4-Ethoxy-3-methylbenzeneboronic acid a canonical compound?
Yes, 4-Ethoxy-3-methylbenzeneboronic acid is a canonical compound according to PubChem.
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