2-Isopropoxyphenylboronic Acid - CAS 138008-97-6
Catalog: |
BB008695 |
Product Name: |
2-Isopropoxyphenylboronic Acid |
CAS: |
138008-97-6 |
Synonyms: |
(2-propan-2-yloxyphenyl)boronic acid; (2-propan-2-yloxyphenyl)boronic acid |
IUPAC Name: | (2-propan-2-yloxyphenyl)boronic acid |
Description: | Reactant for: Suzuki arylation; Palladium-catalyzed Suzuki-Miyaura reaction. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13O3B |
Canonical SMILES: | B(C1=CC=CC=C1OC(C)C)(O)O |
InChI: | InChI=1S/C9H13BO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7,11-12H,1-2H3 |
InChI Key: | XDMKBIIRBDPSOE-UHFFFAOYSA-N |
Boiling Point: | 199 °C (lit.) |
Melting Point: | 30-35 °C (lit.) |
Flash Point: | 230.0 °F - closed cup |
Density: | 1.075 g/mL at 25 °C (lit.) |
Appearance: | Off-white solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD03427050 |
LogP: | 0.15360 |
Refractive Index: | n20/D >1.5090 (lit.) |
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 |
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Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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