3-Fluorobenzamide - CAS 455-37-8
Catalog: |
BB025925 |
Product Name: |
3-Fluorobenzamide |
CAS: |
455-37-8 |
Synonyms: |
3-fluorobenzamide |
IUPAC Name: | 3-fluorobenzamide |
Description: | 3-Fluorobenzamide (CAS# 455-37-8) is a useful research chemical. |
Molecular Weight: | 139.13 |
Molecular Formula: | C7H6FNO |
Canonical SMILES: | C1=CC(=CC(=C1)F)C(=O)N |
InChI: | InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) |
InChI Key: | YPIGHNIIXYSPKF-UHFFFAOYSA-N |
Boiling Point: | 238.4 °C at 760 mmHg |
Melting Point: | 129-132 °C |
Purity: | 95 % |
Density: | 1.238 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00007983 |
LogP: | 1.62490 |
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 |
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PMID | Publication Date | Title | Journal |
22574506 | 20120101 | Metabolic stability of new anticonvulsants in body fluids and organ homogenates | Acta poloniae pharmaceutica |
22220046 | 20111101 | N-(3-Fluoro-benzo-yl)-N',N''-bis-(4-methyl-phen-yl)phospho-ric triamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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