2-Fluoro-3-(trifluoromethyl)benzamide - CAS 207853-60-9
Catalog: |
BB016300 |
Product Name: |
2-Fluoro-3-(trifluoromethyl)benzamide |
CAS: |
207853-60-9 |
Synonyms: |
2-fluoro-3-(trifluoromethyl)benzamide |
IUPAC Name: | 2-fluoro-3-(trifluoromethyl)benzamide |
Description: | 2-Fluoro-3-(trifluoromethyl)benzamide (CAS# 207853-60-9 ) is a useful research chemical. |
Molecular Weight: | 207.13 |
Molecular Formula: | C8H5F4NO |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)N |
InChI: | InChI=1S/C8H5F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14) |
InChI Key: | UHMUBYIIPNQHGD-UHFFFAOYSA-N |
Boiling Point: | 210.9 ℃ at 760 mmHg |
Melting Point: | 94-97 ℃(lit.) |
Purity: | 95 % |
Density: | 1.42 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White crystalline powder |
MDL: | MFCD00061146 |
LogP: | 2.64370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112624911-A | 2-chloro-3-fluoro-4- (trifluoromethyl) benzaldehyde and synthetic method thereof | 20210115 |
WO-2019055913-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF BRAIN INJURY | 20170915 |
EP-3681871-A1 | Compositions and methods for treating brain injury | 20170915 |
EP-3651752-A1 | Carboxamides as modulators of sodium channels | 20170711 |
WO-2019014352-A1 | CARBOXAMIDES AS INHIBITORS OF SODIUM CHANNELS | 20170711 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.03072643 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.03072643 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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