2,6-Dimethyl-4-methoxyphenylboronic acid - CAS 361543-99-9
Catalog: |
BB050281 |
Product Name: |
2,6-Dimethyl-4-methoxyphenylboronic acid |
CAS: |
361543-99-9 |
Synonyms: |
4-Methoxy-2,6-dimethylphenylboronic acid |
IUPAC Name: | (4-methoxy-2,6-dimethylphenyl)boronic acid |
Description: | 2,6-Dimethyl-4-methoxyphenylboronic acid (CAS# 361543-99-9 ) is a useful research chemical. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13BO3 |
Canonical SMILES: | B(C1=C(C=C(C=C1C)OC)C)(O)O |
InChI: | InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3 |
InChI Key: | UOSSBXMFWPYHEF-UHFFFAOYSA-N |
Boiling Point: | 346.3 °C at 760 mmHg |
Melting Point: | 168-172 °C |
Purity: | 98 % |
Density: | 1.11 g/cm3 |
Storage: | Keep Cold |
GHS Hazard Statement: | 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: | 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: | 151 |
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: | 2 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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