3-Bromo-4-hydroxy-5-methoxybenzonitrile - CAS 52805-45-5
Catalog: |
BB027954 |
Product Name: |
3-Bromo-4-hydroxy-5-methoxybenzonitrile |
CAS: |
52805-45-5 |
Synonyms: |
3-bromo-4-hydroxy-5-methoxybenzonitrile |
IUPAC Name: | 3-bromo-4-hydroxy-5-methoxybenzonitrile |
Description: | 3-Bromo-4-hydroxy-5-methoxybenzonitrile (CAS# 52805-45-5) is a useful research chemical. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C#N)Br)O |
InChI: | InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3 |
InChI Key: | FHXLXRNDUJYBEQ-UHFFFAOYSA-N |
Boiling Point: | 280.7 ℃ at 760 mmHg |
Density: | 1.71 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD01123027 |
LogP: | 2.03498 |
GHS Hazard Statement: | H302 (99.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016316278-A1 | Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof | 20150902 |
AU-2016316278-B2 | Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof | 20150902 |
CN-106478500-B | Carboxylic acid substituted (hetero) aromatic ring derivatives, and preparation method and application thereof | 20150902 |
EP-3344604-A1 | Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof | 20150902 |
KR-20180041747-A | Carboxy Substituted (Hetero) Aromatic Ring Derivatives and Their Preparation and Use | 20150902 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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