4-Cyano-2-methylphenylboronic Acid - CAS 313546-18-8
Catalog: |
BB020894 |
Product Name: |
4-Cyano-2-methylphenylboronic Acid |
CAS: |
313546-18-8 |
Synonyms: |
(4-cyano-2-methylphenyl)boronic acid; (4-cyano-2-methylphenyl)boronic acid |
IUPAC Name: | (4-cyano-2-methylphenyl)boronic acid |
Description: | Reactant involved in: Reactions with (cyanomethylphenyl)boronic acid; Synthesis of oligo-boronic acid receptors with improved structural and electronic properties; Syntesis of aminoalkoxybiphenylnitriles for use as histamine-3 receptor ligands. |
Molecular Weight: | 160.97 |
Molecular Formula: | C8H8NO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C#N)C)(O)O |
InChI: | InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3 |
InChI Key: | RGCVYEOTYJCNOS-UHFFFAOYSA-N |
Boiling Point: | 376.106 ℃ at 760 mmHg |
Melting Point: | 287-305 ℃ |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.209 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09750473 |
LogP: | -0.45352 |
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 |
US-2021101864-A1 | Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, lighting apparatus, and moving object | 20191003 |
WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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