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
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 |
