4-Amino-3-nitrophenylboronic Acid Pinacol Ester - CAS 833486-94-5
Catalog: |
BB037016 |
Product Name: |
4-Amino-3-nitrophenylboronic Acid Pinacol Ester |
CAS: |
833486-94-5 |
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 |
Description: | 4-Amino-3-nitrophenylboronic Acid Pinacol Ester (CAS# 833486-94-5) is a useful research chemical. |
Molecular Weight: | 264.09 |
Molecular Formula: | C12H17N2O4B |
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 |
MDL: | MFCD06795680 |
LogP: | 2.58060 |
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 |
Publication Number | Title | Priority Date |
CN-110655505-A | 6- (2-amino-1H-benzo [ d ] imidazol-6-yl) quinazolin-4 (3H) -ones | 20191023 |
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Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.1281372 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.1281372 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 90.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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