5-Chloro-2-nitro-4-(trifluoromethoxy)aniline - CAS 914637-23-3
Catalog: |
BB040203 |
Product Name: |
5-Chloro-2-nitro-4-(trifluoromethoxy)aniline |
CAS: |
914637-23-3 |
Synonyms: |
5-chloro-2-nitro-4-(trifluoromethoxy)aniline; 5-chloro-2-nitro-4-(trifluoromethoxy)aniline |
IUPAC Name: | 5-chloro-2-nitro-4-(trifluoromethoxy)aniline |
Description: | 5-Chloro-2-nitro-4-(trifluoromethoxy)aniline (CAS# 914637-23-3) is a useful research chemical. |
Molecular Weight: | 256.57 |
Molecular Formula: | C7H4ClF3N2O3 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)OC(F)(F)F)[N+](=O)[O-])N |
InChI: | InChI=1S/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2 |
InChI Key: | NFVAJIPVDHPZKP-UHFFFAOYSA-N |
Boiling Point: | 318.1 °C at 760 mmHg |
Density: | 1.645 g/cm3 |
LogP: | 3.83340 |
GHS Hazard Statement: | H302 (100%): 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 |
Publication Number | Title | Priority Date |
AU-2018296398-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis | 20170706 |
US-2021315893-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis | 20170706 |
CA-2722772-A1 | Benzoimidazoles as prolyl hydroxylase inhibitors | 20080428 |
CN-102076680-A | Benzoimidazoles as prolyl hydroxylase inhibitors | 20080428 |
CN-102076680-B | As the benzoglyoxaline of prolyl hydroxylase inhibitors | 20080428 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.9862542 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.9862542 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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