Thiophene-2-boronic acid - CAS 6165-68-0
Catalog: |
BB050274 |
Product Name: |
Thiophene-2-boronic acid |
CAS: |
6165-68-0 |
Synonyms: |
2-Thiopheneboronic acid; 2-Thienylboronic acid |
IUPAC Name: | thiophen-2-ylboronic acid |
Description: | A reagent used for Palladium-catalyzed Suzuki-Miyaura cross-couplings. |
Molecular Weight: | 127.95 |
Molecular Formula: | C4H5BO2S |
Canonical SMILES: | B(C1=CC=CS1)(O)O |
InChI: | InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H |
InChI Key: | ARYHTUPFQTUBBG-UHFFFAOYSA-N |
Melting Point: | 138-140 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.32 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | 2-8 °C |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338 |
Signal Word: | Warning |
Complexity: | 78.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.0103307 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.0103307 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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