4-Amino-3-nitrophenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C12H17N2O4B
Molecular Weight:
264.09
Description
4-Amino-3-nitrophenylboronic Acid Pinacol Ester (CAS# 833486-94-5) is a useful research chemical.
Synonyms
2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name
2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3
InChI Key
QOYJKGGBFKVKDP-UHFFFAOYSA-N
Boiling Point
404 °C at 760 mmHg
Melting Point
157.1-172.4 °C
Flash Point
Not applicable
Purity
97 %
Density
1.2 g/cm3
LogP
2.58060

Safety Information

Hazards
H315 - H319 - H335
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

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
264.1281372 g/mol
Monoisotopic Mass
264.1281372 g/mol
Topological Polar Surface Area
90.3Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
353
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-110655505-A 6- (2-amino-1H-benzo [ d ] imidazol-6-yl) quinazolin-4 (3H) -ones 2019-10-23
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 2019-06-12
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 2019-06-12
WO-2020248864-A1 Passivator, passivation method therefor and method for preparing semiconductor film 2019-06-12
WO-2020225569-A1 Phenyl-sulfamoyl.benzoyc acids as erap1 modulators 2019-05-09
AU-2020269504-A1 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators 2019-05-09
EP-3966196-A1 Phenyl-sulfamoyl.benzoyc acids as erap1 modulators 2019-05-09
US-10654873-B2 Cytotoxic agents and conjugates thereof 2016-09-15
US-2019202839-A1 Novel Cytotoxic Agents And Conjugates Thereof 2016-09-15
EP-3512856-B1 Novel cytotoxic agents and conjugates thereof 2016-09-15
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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