4-Nitro-3-(trifluoromethyl)benzonitrile - CAS 320-36-5
Catalog: |
BB021134 |
Product Name: |
4-Nitro-3-(trifluoromethyl)benzonitrile |
CAS: |
320-36-5 |
Synonyms: |
4-nitro-3-(trifluoromethyl)benzonitrile |
IUPAC Name: | 4-nitro-3-(trifluoromethyl)benzonitrile |
Description: | 4-Nitro-3-(trifluoromethyl)benzonitrile (CAS# 320-36-5) is a useful research chemical. |
Molecular Weight: | 216.12 |
Molecular Formula: | C8H3F3N2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H3F3N2O2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13(14)15/h1-3H |
InChI Key: | AVSDRULQBQMLES-UHFFFAOYSA-N |
Boiling Point: | 304.2 ℃ at 760 mmHg |
Density: | 1.49 g/cm3 |
Appearance: | White to light yellow solid, powder, or crystals |
MDL: | MFCD05664270 |
LogP: | 3.00848 |
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 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
US-4003909-A | [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters | 19740722 |
US-3518305-A | Nitro-trifluoromethylbenzamides | 19670814 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.01466183 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.01466183 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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