2-(Trifluoromethyl)benzamide - CAS 360-64-5
Catalog: |
BB022850 |
Product Name: |
2-(Trifluoromethyl)benzamide |
CAS: |
360-64-5 |
Synonyms: |
2-(trifluoromethyl)benzamide |
IUPAC Name: | 2-(trifluoromethyl)benzamide |
Description: | 2-(Trifluoromethyl)benzamide (CAS# 360-64-5) is a useful research chemical. |
Molecular Weight: | 189.13 |
Molecular Formula: | C8H6F3NO |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)N)C(F)(F)F |
InChI: | InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13) |
InChI Key: | QBAYIBZITZBSFO-UHFFFAOYSA-N |
Boiling Point: | 247.3 °C at 760 mmHg |
Density: | 1.335 g/cm3 |
Appearance: | Pellets or large crystals |
MDL: | MFCD00014798 |
LogP: | 2.50460 |
GHS Hazard Statement: | H315 (97.87%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.87%): 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-2021165195-A1 | Heteroaryl-triazole compounds as pesticides | 20200218 |
KR-20210091954-A | PYRIDO[3,4-d]PYRIMIDIN DERIVATIVES AND PHAMACEUTICAL COMPOSITIONS CONTAINING THE SAME | 20200115 |
WO-2021145521-A1 | Pyrido[3,4-d]pyrimidine derivative and therapeutic pharmaceutic composition comprising same | 20200115 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021115560-A1 | New fyn and vegfr2 kinase inhibitors | 20191209 |
PMID | Publication Date | Title | Journal |
22592349 | 20120728 | Self-assembly driven by an aromatic primary amide motif | Organic & biomolecular chemistry |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0401483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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