5-Methyl-3-(trifluoromethyl)aniline - CAS 96100-12-8
Catalog: |
BB041943 |
Product Name: |
5-Methyl-3-(trifluoromethyl)aniline |
CAS: |
96100-12-8 |
Synonyms: |
3-methyl-5-(trifluoromethyl)aniline; 3-methyl-5-(trifluoromethyl)aniline |
IUPAC Name: | 3-methyl-5-(trifluoromethyl)aniline |
Description: | 5-Methyl-3-(trifluoromethyl)aniline (CAS# 96100-12-8) is a useful research chemical. |
Molecular Weight: | 175.15 |
Molecular Formula: | C8H8F3N |
Canonical SMILES: | CC1=CC(=CC(=C1)N)C(F)(F)F |
InChI: | InChI=1S/C8H8F3N/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4H,12H2,1H3 |
InChI Key: | WYDJMBLMXGCHOL-UHFFFAOYSA-N |
Boiling Point: | 203.3 °C at 760 mmHg |
Density: | 1.237 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD01631580 |
LogP: | 3.17720 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112079729-A | Preparation method of 3-alkyl-5-trifluoromethylaniline | 20200922 |
US-2021300910-A1 | Phebox ligands and methods of making same | 20200323 |
WO-2021067805-A1 | Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity | 20191003 |
CN-111825605-A | Aryl ketone amide compound and preparation method and application thereof | 20190419 |
WO-2020186196-A1 | Trisubstituted pyrazolo [1,5-a] pyrimidine compounds as cdk7 inhibitors | 20190313 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06088375 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06088375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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