2-Nitro-4-(trifluoromethyl)benzaldehyde - CAS 109466-87-7
Catalog: |
BB002487 |
Product Name: |
2-Nitro-4-(trifluoromethyl)benzaldehyde |
CAS: |
109466-87-7 |
Synonyms: |
2-nitro-4-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 2-nitro-4-(trifluoromethyl)benzaldehyde |
Description: | 2-Nitro-4-(trifluoromethyl)benzaldehyde (CAS# 109466-87-7) is a useful research chemical. |
Molecular Weight: | 219.12 |
Molecular Formula: | C8H4F3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)7(3-6)12(14)15/h1-4H |
InChI Key: | CTSYMGKKRHIYIH-UHFFFAOYSA-N |
Boiling Point: | 273.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.496 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD06797985 |
LogP: | 2.94930 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109438282-A | The preparation method of 2- nitro -4- trifluoromethylbenzonitrile | 20181204 |
CN-109438282-B | Preparation method of 2-nitro-4-trifluoromethyl benzonitrile | 20181204 |
CN-108530410-B | Method for constructing dihydropyran ring by benzaldehyde, α -methyl styrene compound and dimethyl sulfoxide | 20180614 |
JP-2019043944-A | Fused heterocyclic compound and pest control agent | 20170901 |
AU-2017361250-A1 | MAGL inhibitors | 20161116 |
PMID | Publication Date | Title | Journal |
16749798 | 20060609 | 1H NMR, 13C NMR, and computational DFT studies of the structure of 2-acylcyclohexane-1,3-diones and their alkali metal salts in solution | The Journal of organic chemistry |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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