1-Methyl-1H-indazole-5-boronic Acid - CAS 590418-08-9

Catalog:	BB030253
Product Name:	1-Methyl-1H-indazole-5-boronic Acid
CAS:	590418-08-9
Synonyms:	(1-methyl-5-indazolyl)boronic acid; (1-methylindazol-5-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-methylindazol-5-yl)boronic acid
Description:	1-Methyl-1H-indazole-5-boronic Acid (CAS# 590418-08-9) is a useful research chemical.
Molecular Weight:	175.98
Molecular Formula:	C8H9N2O2B
Canonical SMILES:	B(C1=CC2=C(C=C1)N(N=C2)C)(O)O
InChI:	InChI=1S/C8H9BN2O2/c1-11-8-3-2-7(9(12)13)4-6(8)5-10-11/h2-5,12-13H,1H3
InChI Key:	FPZFXDGMBDJLHR-UHFFFAOYSA-N
Boiling Point:	397.472 °C at 760 mmHg
Density:	1.271 g/cm³
MDL:	MFCD09870052
LogP:	-0.74690

Publication Number	Title	Priority Date
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021088787-A1	Quinazoline compound used as axl inhibitor	20191107
CN-110563732-A	7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof	20190904

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Related Functional Groups

Boronic Acids and Esters

[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.0757077
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.0757077
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0