4-(Isopropylsulfonyl)phenylboronic Acid - CAS 850567-98-5
Catalog: |
BB037432 |
Product Name: |
4-(Isopropylsulfonyl)phenylboronic Acid |
CAS: |
850567-98-5 |
Synonyms: |
(4-propan-2-ylsulfonylphenyl)boronic acid; (4-propan-2-ylsulfonylphenyl)boronic acid |
IUPAC Name: | (4-propan-2-ylsulfonylphenyl)boronic acid |
Description: | 4-(Isopropylsulfonyl)phenylboronic Acid (CAS# 850567-98-5) is a useful research chemical. |
Molecular Weight: | 228.07 |
Molecular Formula: | C9H13O4SB |
Canonical SMILES: | B(C1=CC=C(C=C1)S(=O)(=O)C(C)C)(O)O |
InChI: | InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3 |
InChI Key: | IGJLXIUSOMMUIV-UHFFFAOYSA-N |
Boiling Point: | 443.1 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06659866 |
LogP: | 0.62930 |
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 |
Publication Number | Title | Priority Date |
CN-112694497-A | Preparation method of 4-isopropylsulfonyl phenylboronic acid | 20201225 |
CN-111518058-A | Oxathiazine compound and application thereof | 20200529 |
CN-111518058-B | Oxathiazine compound and application thereof | 20200529 |
WO-2021063362-A1 | Sulfo-substituted biaryl compound or salt thereof, preparation method therefor, and use thereof | 20190930 |
CN-112851557-A | Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof | 20190930 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0627602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0627602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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