4-Amino-3,5-dinitrobenzotrifluoride - CAS 445-66-9
Catalog: |
BB025645 |
Product Name: |
4-Amino-3,5-dinitrobenzotrifluoride |
CAS: |
445-66-9 |
Synonyms: |
2,6-dinitro-4-(trifluoromethyl)aniline |
IUPAC Name: | 2,6-dinitro-4-(trifluoromethyl)aniline |
Description: | 4-Amino-3,5-dinitrobenzotrifluoride (CAS# 445-66-9) is a useful research chemical. |
Molecular Weight: | 251.12 |
Molecular Formula: | C7H4F3N3O4 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2 |
InChI Key: | VACNDKUQVLNNLD-UHFFFAOYSA-N |
Boiling Point: | 313.1 °C at 760 mmHg |
Density: | 1.686 g/cm3 |
MDL: | MFCD00024260 |
LogP: | 3.73160 |
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 |
WO-2021066639-A1 | Virucidal effect of a tryptophan derivative in plants | 20191001 |
US-2021317407-A1 | Methods and compositions for stimulation of chimeric antigen receptor t cells with hapten labelled cells | 20180806 |
AU-2018219226-A1 | Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents | 20170207 |
CA-3051481-A1 | Phospholipid ether (ple) car t cell tumor targeting (ctct) agents | 20170207 |
CN-110612119-A | Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents | 20170207 |
PMID | Publication Date | Title | Journal |
16252042 | 20051101 | Time evolution and competing pathways in photodegradation of trifluralin and three of its major degradation products | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
12531708 | 20030301 | Ozone treatment of soil contaminated with aniline and trifluralin | Chemosphere |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.01539010 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.01539010 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 118 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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