3-Chloro-4-methylphenylboronic Acid - CAS 175883-63-3
Catalog: |
BB013179 |
Product Name: |
3-Chloro-4-methylphenylboronic Acid |
CAS: |
175883-63-3 |
Synonyms: |
(3-chloro-4-methylphenyl)boronic acid; (3-chloro-4-methylphenyl)boronic acid |
IUPAC Name: | (3-chloro-4-methylphenyl)boronic acid |
Description: | Reactant involved in: Intromolecular aromatic carbenoid insertion for the synthesis of fluorenes; Synthesis of biaryl amides with muscarinic acetylcholine receptor subtype M1 agonistic activity; Preparation of borinic acid picolinate esters for use against cutaneous diseases; Synthesis of TRPV1 antagonists as treatment for chronic pain. |
Molecular Weight: | 170.40 |
Molecular Formula: | C7H8ClO2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C)Cl)(O)O |
InChI: | InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 |
InChI Key: | YTJUYWRCAZWVSX-UHFFFAOYSA-N |
Boiling Point: | 317.3 °C at 760 mmHg |
Melting Point: | 228-232 °C |
Density: | 1.26 g/cm3 |
MDL: | MFCD04039010 |
LogP: | 0.32820 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
WO-2021094208-A1 | Substituted imidazo pyrimidine ep3 antagonists | 20191112 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
WO-2020077174-A1 | Phosphodiesterase inhibitors | 20181012 |
CN-113164487-A | Phosphodiesterase inhibitors | 20181012 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0305874 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0305874 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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