3-(Trifluoromethyl)benzamide - CAS 1801-10-1
Catalog: |
BB013643 |
Product Name: |
3-(Trifluoromethyl)benzamide |
CAS: |
1801-10-1 |
Synonyms: |
3-(trifluoromethyl)benzamide |
IUPAC Name: | 3-(trifluoromethyl)benzamide |
Description: | 3-(Trifluoromethyl)benzamide (CAS# 1801-10-1) is a useful research chemical. |
Molecular Weight: | 189.13 |
Molecular Formula: | C8H6F3NO |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C(=O)N |
InChI: | InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13) |
InChI Key: | XBGXGCOLWCMVOI-UHFFFAOYSA-N |
Boiling Point: | 241.3 °C at 760 mmHg |
Melting Point: | 123-124 °C |
Purity: | 95 % |
Density: | 1.335 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00014802 |
LogP: | 2.50460 |
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 |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021115560-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
WO-2021116005-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
CN-112300145-A | Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 20190731 |
PMID | Publication Date | Title | Journal |
16873026 | 20060701 | A general strategy for creating 'inactive-conformation' abl inhibitors | Chemistry & biology |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.04014830 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.04014830 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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