3-Fluorophenylacetyl chloride - CAS 458-04-8
Catalog: |
BB025982 |
Product Name: |
3-Fluorophenylacetyl chloride |
CAS: |
458-04-8 |
Synonyms: |
Benzeneacetyl chloride, 3-fluoro-; 3-Fluorobenzeneacetyl chloride; Acetyl chloride, (m-fluorophenyl)- |
IUPAC Name: | 2-(3-fluorophenyl)acetyl chloride |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | C1=CC(=CC(=C1)F)CC(=O)Cl |
InChI: | InChI=1S/C8H6ClFO/c9-8(11)5-6-2-1-3-7(10)4-6/h1-4H,5H2 |
InChI Key: | SKOMBKMLOHIBTF-UHFFFAOYSA-N |
Boiling Point: | 217.2±23.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.278±0.06 g/cm3 |
Appearance: | Clear Colorless Liquid |
LogP: | 2.13360 |
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 |
WO-2020238529-A1 | Parecoxib impurity reference substance and preparation method therefor | 20190531 |
TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 20190125 |
EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 20190125 |
WO-2020151738-A1 | Macrocyclic fused pyrrazoles as mcl-1 inhibitors | 20190123 |
CN-112204036-A | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 20190123 |
PMID | Publication Date | Title | Journal |
21582007 | 20090131 | 3-(3-Fluoro-benz-yl)isochroman-1-one | Acta crystallographica. Section E, Structure reports online |
21581247 | 20081108 | 3-(3-Fluoro-benz-yl)-1H-isochromen-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0091207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS