3,4-Dimethylphenylboronic Acid - CAS 55499-43-9
Catalog: |
BB029060 |
Product Name: |
3,4-Dimethylphenylboronic Acid |
CAS: |
55499-43-9 |
Synonyms: |
(3,4-dimethylphenyl)boronic acid; (3,4-dimethylphenyl)boronic acid |
IUPAC Name: | (3,4-dimethylphenyl)boronic acid |
Description: | 3,4-Dimethylphenylboronic Acid (CAS# 55499-43-9) is a useful research chemical. |
Molecular Weight: | 149.98 |
Molecular Formula: | C8H11O2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C)C)(O)O |
InChI: | InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3 |
InChI Key: | KDVZJKOYSOFXRV-UHFFFAOYSA-N |
Flash Point: | Not applicable |
Appearance: | Solid |
MDL: | MFCD01009694 |
LogP: | -0.01680 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939971-A | Coumarin compound and preparation method and application thereof | 20210208 |
CN-112961140-A | Naphthoquinone heterocyclic compound and application thereof | 20210208 |
CN-112480160-A | Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative | 20201020 |
CN-111875618-A | Compound with multi-heterocyclic structure and application thereof | 20200731 |
CN-111662308-A | SO (SO)2Compound with multi-heterocyclic structure and application thereof | 20200710 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0852098 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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