AG00389E

1036991-40-8 | 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

AG00389E

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CAS Number	1036991-40-8
Catalog Number	AG00389E(AGN-PC-069K8R)
Chemical Name	1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name	1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChI Key	ZLIQCQOFVHSHPX-UHFFFAOYSA-N
MDL Number	MFCD09864189
Molecular Formula	C11H19BN2O2
Molecular Weight	222.0918
SMILES	CN1N=CC(=C1C)B1OC(C(O1)(C)C)(C)C
Synonyms	1036991-40-8, 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER, 1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol ester, ZLIQCQOFVHSHPX-UHFFFAOYSA-N, 1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester, AldrichCPR, SCHEMBL627234, AMBA00030, CTK8B3413, TIMTEC-BB SBB019183, DTXSID50655322, WT861, ANW-42484, MFCD09864189, SBB019183, STK695171, AKOS005606422, ZINC169743797, CS-W000784, GS-6428, MCULE-8708017597, PB32797, QC-3395, RTR-000862, NCGC00334735-01, AK-38140, AM802862, BC000033, SY026651, AB0091459, AB1007950, TR-000862, FT-0753307, ST24036884, KS-00000759, MFCD09864189 (97%), B-6309, AB01326674-02, 1,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester, J-504022, Z2130831167, (1,5-DIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 2-(1,5-dimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1H-Pyrazole,1,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-, 1036991-40-8 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, null, 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 95% - 1G 1g, 1;5-diMethyl-4-(4;4;5;5-tetraMethyl-1;3;2-dioxaborolan-2-yl)-1H-pyrazole,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.154g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.095g/mol
Monoisotopic Mass	222.154g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P402+P404-P280-P305+P351+P338-P411-P422
UN Code	UN 2811

Certificate of Analysis

Lot Number