Methyl 2-fluoro-4-hydroxybenzoate - CAS 197507-22-5
Catalog: |
BB076902 |
Product Name: |
Methyl 2-fluoro-4-hydroxybenzoate |
CAS: |
197507-22-5 |
Synonyms: |
2-Fluoro-4-hydroxybenzoic acid methyl ester; Benzoic acid, 2-fluoro-4-hydroxy-, methyl ester |
IUPAC Name: | methyl 2-fluoro-4-hydroxybenzoate |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)O)F |
InChI: | InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3 |
InChI Key: | WYSPMXSNCAFCFV-UHFFFAOYSA-N |
Boiling Point: | 286.6±25.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.309±0.1 g/cm3 |
Solubility: | Soluble in Water (Slightly) |
Storage: | Store at 2-8°C under inert gas (nitrogen or argon) |
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: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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