3-Amino-5-carboxyphenylboronic Acid - CAS 116378-40-6

Catalog:	BB003750
Product Name:	3-Amino-5-carboxyphenylboronic Acid
CAS:	116378-40-6
Synonyms:	3-amino-5-boronobenzoic acid; 3-amino-5-boronobenzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-amino-5-boronobenzoic acid
Description:	3-Amino-5-carboxyphenylboronic Acid (CAS# 116378-40-6) is a useful research chemical.
Molecular Weight:	180.95
Molecular Formula:	C7H8NO4B
Canonical SMILES:	B(C1=CC(=CC(=C1)N)C(=O)O)(O)O
InChI:	InChI=1S/C7H8BNO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,9H2,(H,10,11)
InChI Key:	VVQAAMZMJNXCOP-UHFFFAOYSA-N
Boiling Point:	545.5 °C at 760 mmHg
Density:	1.49 g/cm³
Appearance:	Light yellow to off-white powder
LogP:	-0.77200

Publication Number	Title	Priority Date
CN-111146496-A	Polymer electrolyte and lithium ion battery containing same	20191223
CN-111146496-B	Polymer electrolyte and lithium ion battery containing same	20191223
CN-110967488-A	Test strip, kit and method for measuring glycosylated hemoglobin	20191220
AU-2016317806-A1	Heteroaryl compounds and their use as therapeutic drugs	20150831
CA-2995675-A1	Heteroaryl compounds and their use as therapeutic drugs	20150831

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[1967833-52-8]
4-(4-Piperidyl)phenylboronic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0546379
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	181.0546379
Rotatable Bond Count:	2
Topological Polar Surface Area:	104 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0