4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole - CAS 916975-92-3
Catalog: |
BB076045 |
Product Name: |
4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole |
CAS: |
916975-92-3 |
Synonyms: |
4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole; 4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole; 1H-Imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-; 4-METHYL-1-[3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]IMIDAZOLE; 4-methyl-1-(3-nitro-5-trifluoromethyl-phenyl)-1H-imidazole |
IUPAC Name: | 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole |
Description: | 4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole, is a 4-methyl-1H-imidazole (4-MEI) derivative. |
Molecular Weight: | 271.2 |
Molecular Formula: | C11H8F3N3O2 |
Canonical SMILES: | CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C11H8F3N3O2/c1-7-5-16(6-15-7)9-2-8(11(12,13)14)3-10(4-9)17(18)19/h2-6H,1H3 |
InChI Key: | JMLCVCGQBRZYOZ-UHFFFAOYSA-N |
Melting Point: | 120 - 121°C |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | Refrigerator |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 |
Signal Word: | Danger |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.05686099 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.05686099 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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