4-Methoxy-3-nitrophenylboronic Acid - CAS 827614-67-5
Catalog: |
BB036902 |
Product Name: |
4-Methoxy-3-nitrophenylboronic Acid |
CAS: |
827614-67-5 |
Synonyms: |
(4-methoxy-3-nitrophenyl)boronic acid; (4-methoxy-3-nitrophenyl)boronic acid |
IUPAC Name: | (4-methoxy-3-nitrophenyl)boronic acid |
Description: | 4-Methoxy-3-nitrophenylboronic Acid (CAS# 827614-67-5) is a useful research chemical. |
Molecular Weight: | 196.95 |
Molecular Formula: | C7H8NO5B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)[N+](=O)[O-])(O)O |
InChI: | InChI=1S/C7H8BNO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,10-11H,1H3 |
InChI Key: | HAQVJQNWHRUPBH-UHFFFAOYSA-N |
Boiling Point: | 406.1 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD03092922 |
LogP: | -0.19360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939989-A | 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 20210303 |
WO-2020264176-A1 | Urea derivatives as cb1 allosteric modulators | 20190628 |
KR-101505783-B1 | Novel pyrrolopyridinyloxyphenylamide derivatives and use thereof | 20140801 |
BR-112016000386-B1 | tetrazolinone compounds, their use, pyridine compounds, plague control agent and method | 20130712 |
CA-2916615-A1 | Ido inhibitors | 20130701 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.0495525 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0495525 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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