Methyl 2-fluorobenzoate - CAS 394-35-4
Catalog: |
BB023981 |
Product Name: |
Methyl 2-fluorobenzoate |
CAS: |
394-35-4 |
Synonyms: |
methyl 2-fluorobenzoate |
IUPAC Name: | methyl 2-fluorobenzoate |
Description: | Methyl 2-fluorobenzoate (CAS# 394-35-4) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1F |
InChI: | InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
InChI Key: | QAFJIJWLEBLXHH-UHFFFAOYSA-N |
Boiling Point: | 99 ℃ (18 torr) |
Melting Point: | 93 ℃ |
Purity: | 95 % |
Density: | 1.21 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00017913 |
LogP: | 1.61230 |
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 (16.67%): 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 |
Publication Number | Title | Priority Date |
CN-112112640-A | Environment-friendly tracer controlled-release capsule and method thereof | 20200922 |
CN-113354519-A | Synthetic method of heterocyclic compound | 20200307 |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021131845-A1 | Radiation-sensitive resin composition and method for forming pattern | 20191227 |
PMID | Publication Date | Title | Journal |
22959865 | 20121019 | Ultra trace determination of fluorobenzoic acids in tap and reservoir water using solid-phase extraction and gas chromatography-mass spectrometry | Journal of chromatography. A |
22562668 | 20120614 | Toluene dioxygenase mediated oxidation of halogen-substituted benzoate esters | Organic & biomolecular chemistry |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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