Ethyl 3-fluorobenzoate - CAS 451-02-5
Catalog: |
BB025765 |
Product Name: |
Ethyl 3-fluorobenzoate |
CAS: |
451-02-5 |
Synonyms: |
ethyl 3-fluorobenzoate |
IUPAC Name: | ethyl 3-fluorobenzoate |
Description: | Ethyl 3-fluorobenzoate (CAS# 451-02-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)F |
InChI: | InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
InChI Key: | SMMIKBXLEWTSJD-UHFFFAOYSA-N |
Boiling Point: | 94-95 °C |
Melting Point: | 82 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.136 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00000336 |
LogP: | 2.00240 |
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 |
Publication Number | Title | Priority Date |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 20200204 |
AU-2017352704-A1 | Pyrazolopyrimidine compound as PI3K inhibitor and use thereof | 20161102 |
CA-3042595-A1 | Pyrazolopyrimidine compound as pi3k inhibitor and use thereof | 20161102 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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