5-Chloro-2-methoxyphenylboronic Acid - CAS 89694-48-4
Catalog: |
BB039572 |
Product Name: |
5-Chloro-2-methoxyphenylboronic Acid |
CAS: |
89694-48-4 |
Synonyms: |
(5-chloro-2-methoxyphenyl)boronic acid; (5-chloro-2-methoxyphenyl)boronic acid |
IUPAC Name: | (5-chloro-2-methoxyphenyl)boronic acid |
Description: | Reactant for: Boron-Heck arylation; Suzuki-Miyaura reaction. |
Molecular Weight: | 186.40 |
Molecular Formula: | C7H8ClO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)Cl)OC)(O)O |
InChI: | InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | FMBVAOHFMSQDGT-UHFFFAOYSA-N |
Boiling Point: | 360.2 ℃ at 760 mmHg |
Melting Point: | 134-141 ℃ (lit.) |
Density: | 1.32 g/cm3 |
Appearance: | White powder |
MDL: | MFCD01318966 |
LogP: | 0.02840 |
GHS Hazard Statement: | H315 (90.91%): 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-111777586-A | Preparation method of 10-chlorobenzo [ kl ] xanthene compound | 20200729 |
WO-2021115335-A1 | Compound as cyclin-dependent kinase 9 inhibitor and use thereof | 20191209 |
KR-20210046568-A | Organic light emitting device | 20191018 |
WO-2021075895-A1 | Organic light-emitting device | 20191018 |
WO-2020251974-A1 | Smarca inhibitors and uses thereof | 20190610 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0255020 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0255020 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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