(2-Ethynylphenyl)boronic acid - CAS 905926-85-4
Catalog: |
BB065476 |
Product Name: |
(2-Ethynylphenyl)boronic acid |
CAS: |
905926-85-4 |
Synonyms: |
(2-ETHYNYLPHENYL)BORONIC ACID; 2-Ethynylphenylboronic acid; 2-ethynylbenzeneboronic acid; (2-ETHYNYLPHENYL)BORONICACID |
IUPAC Name: | (2-ethynylphenyl)boronic acid |
Description: | (2-Ethynylphenyl)boronic acid |
Molecular Weight: | 145.95 |
Molecular Formula: | C8H7BO2 |
Canonical SMILES: | B(C1=CC=CC=C1C#C)(O)O |
InChI: | InChI=1S/C8H7BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6,10-11H |
InChI Key: | SRDKWIRBSWWARM-UHFFFAOYSA-N |
Melting Point: | 93 - 96°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
Storage: | -20°C, Hygroscopic |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.0539096 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.0539096 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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