3-Amino-5-nitrophenylboronic Acid - CAS 89466-05-7

Catalog:	BB039489
Product Name:	3-Amino-5-nitrophenylboronic Acid
CAS:	89466-05-7
Synonyms:	(3-amino-5-nitrophenyl)boronic acid; (3-amino-5-nitrophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-amino-5-nitrophenyl)boronic acid
Description:	3-Amino-5-nitrophenylboronic Acid (CAS# 89466-05-7) is a useful research chemical.
Molecular Weight:	181.94
Molecular Formula:	C6H7N2O4B
Canonical SMILES:	B(C1=CC(=CC(=C1)[N+](=O)[O-])N)(O)O
InChI:	InChI=1S/C6H7BN2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H,8H2
InChI Key:	KLVJZQJSYAKUKK-UHFFFAOYSA-N
Boiling Point:	484.1 °C at 760 mmHg
Density:	1.48 g/cm³
LogP:	-0.03880

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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
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

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:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0498869
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	182.0498869
Rotatable Bond Count:	1
Topological Polar Surface Area:	112 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0