1-Methyl-1H-indazole-4-boronic Acid - CAS 1001907-60-3

Catalog:	BB000123
Product Name:	1-Methyl-1H-indazole-4-boronic Acid
CAS:	1001907-60-3
Synonyms:	(1-methyl-4-indazolyl)boronic acid; (1-methylindazol-4-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-methylindazol-4-yl)boronic acid
Description:	1-Methyl-1H-indazole-4-boronic Acid (CAS# 1001907-60-3) is a useful research chemical.
Molecular Weight:	175.98
Molecular Formula:	C8H9N2O2B
Canonical SMILES:	B(C1=C2C=NN(C2=CC=C1)C)(O)O
InChI:	InChI=1S/C8H9BN2O2/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11/h2-5,12-13H,1H3
InChI Key:	MDEHELJMJCXYIU-UHFFFAOYSA-N
Boiling Point:	397.5 °C at 760 mmHg
Density:	1.27 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09870045
LogP:	-0.74690

Publication Number	Title	Priority Date
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131
US-2019185451-A1	Inhibitors of fibroblast activation protein	20171215
WO-2019118932-A1	Inhibitors of fibroblast activation protein	20171215
AU-2018386298-A1	Inhibitors of fibroblast activation protein	20171215
CN-112105354-A	Fibroblast activation protein inhibitor	20171215

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Related Functional Groups

Boronic Acids and Esters

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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