2,5-Dimethylphenylboronic Acid - CAS 85199-06-0
Catalog: |
BB037531 |
Product Name: |
2,5-Dimethylphenylboronic Acid |
CAS: |
85199-06-0 |
Synonyms: |
(2,5-dimethylphenyl)boronic acid; (2,5-dimethylphenyl)boronic acid |
IUPAC Name: | (2,5-dimethylphenyl)boronic acid |
Description: | Reactant for: Friedel-Crafts alkylation; Suzuki-Miyaura coupling. |
Molecular Weight: | 149.98 |
Molecular Formula: | C8H11O2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C)C)(O)O |
InChI: | InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3 |
InChI Key: | OOMZKLJLVGQZGV-UHFFFAOYSA-N |
Boiling Point: | 305.1 °C at 760 mmHg |
Melting Point: | 186-191 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.07 g/cm3 |
MDL: | MFCD01863525 |
LogP: | -0.01680 |
GHS Hazard Statement: | H302 (14.29%): 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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111410603-A | Benzanthrone derivative, preparation method thereof and application thereof in functional pigment | 20200420 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2020247679-A1 | Wdr5 inhibitors and modulators | 20190604 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0852098 |
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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