2-Chloro-5-nitrobenzotrifluoride - CAS 777-37-7
Catalog: |
BB036020 |
Product Name: |
2-Chloro-5-nitrobenzotrifluoride |
CAS: |
777-37-7 |
Synonyms: |
Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-; Toluene, 2-chloro-α,α,α-trifluoro-5-nitro-; 1-Chloro-2-trifluoromethyl-4-nitrobenzene; 2-(Trifluoromethyl)-4-nitrochlorobenzene; 2-Chloro-5-nitro-1-trifluoromethylbenzene; 2-Chloro-5-nitrotrifluoromethylbenzene; 2-Chloro-α,α,α-trifluoro-5-nitrotoluene; 3-(Trifluoromethyl)-4-chloronitrobenzene; 4-Chloro-3-(trifluoromethyl)nitrobenzene; 4-Nitro-2-(trifluoromethyl)-chlorobenzene; NSC 9467 |
IUPAC Name: | 1-chloro-4-nitro-2-(trifluoromethyl)benzene |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Cl |
InChI: | InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H |
InChI Key: | HQROXDLWVGFPDE-UHFFFAOYSA-N |
Boiling Point: | 232°C |
Melting Point: | 22°C |
Purity: | ≥95% |
Density: | 1.537±0.06 g/cm3 |
Appearance: | White or Colorless to Yellow Powder to Lump to Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00007296 |
LogP: | 3.79020 |
GHS Hazard Statement: | H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
15932302 | 20050610 | Kinetics of the reaction between 2-phenylpropionitrile and 2-chloro-5-nitrotrifluoromethylbenzene under phase-transfer catalysis | The Journal of organic chemistry |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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