AG0038MD

5980-97-2 | Mesitylboronic acid

AG0038MD

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CAS Number	5980-97-2
Catalog Number	AG0038MD(AGN-PC-0JPCI5)
Chemical Name	Mesitylboronic acid
IUPAC Name	(2,4,6-trimethylphenyl)boronic acid
InChI	InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3
InChI Key	BZXQRXJJJUZZAJ-UHFFFAOYSA-N
MDL Number	MFCD00236060
Molecular Formula	C9H13BO2
Molecular Weight	164.0093
NSC Number	157832
SMILES	CC1=C(C(=CC(=C1)C)C)B(O)O
Synonyms	2,4,6-Trimethylphenylboronic acid, 5980-97-2, Mesitylboronic acid, 2,4,6-Trimethylbenzeneboronic acid, (2,4,6-trimethylphenyl)boronic acid, 2-Mesityleneboronic acid, MFCD00236060, BORONIC ACID, (2,4,6-TRIMETHYLPHENYL)-, (2,4,6-Trimethylphenyl)Boranediol, 2,4,6-Trimethylphenylboronic acid, 95%, mesityl boronic acid, PubChem7895, AC1Q2HRT, AC1L6HG9, SCHEMBL448143, ACMC-1B049, CTK5B0533, DTXSID70303313, BZXQRXJJJUZZAJ-UHFFFAOYSA-N, AC1Q7176, ACT02192, ALBB-014511, 2,4,6-trimethyl phenylboronic acid, 2,4,6-trimethylphenyl boronic acid, 2,4,6-TRIMETHYLBORONIC ACID, ANW-33356, BBL101337, CT-238, NSC157832, STL555133, AKOS000285066, ZINC169746833, 2,4,6-tri-methyl-phenyl-boronic acid, AB05359, AC-5391, CS-W016097, GS-6305, LS10965, NSC-157832, RL04260, RP09418, T5620G1, KS-000000K4, AK-45593, AM808121, AN-11017, BC000739, BR-45593, N993, SC-05624, Boronic acid,B-(2,4,6-trimethylphenyl)-, AB0016185, AB1005707, DB-024927, ST2403650, TC-069479, TL8003804, FT-0084819, FT-0609899, C-1210, 980T972, BORONIC ACID, B-(2,4,6-TRIMETHYLPHENYL)-, J-507088, 2,4,6-Trimethylbenzeneboronic acid; Mesitylene-2-boronic acid, C9H13BO2, B(O)(O)c1c(C)cc(C)cc1C, AR-1J3982, CID292184, ACN-001755, T1960, 2,4,6-Trimethylphenylboronic acid, 98% - 1G 1g, 60298-17-1,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.101g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.011g/mol
Monoisotopic Mass	164.101g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number