2-Chloro-6-nitro-4-(trifluoromethyl)aniline - CAS 57729-79-0
Catalog: |
BB029800 |
Product Name: |
2-Chloro-6-nitro-4-(trifluoromethyl)aniline |
CAS: |
57729-79-0 |
Synonyms: |
2-chloro-6-nitro-4-(trifluoromethyl)aniline |
IUPAC Name: | 2-chloro-6-nitro-4-(trifluoromethyl)aniline |
Description: | 2-Chloro-6-nitro-4-(trifluoromethyl)aniline (CAS# 57729-79-0) is used in preparation of 2,6-dichloro-4-trifluoromethylphenylamine. |
Molecular Weight: | 240.57 |
Molecular Formula: | C7H4ClF3N2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2 |
InChI Key: | JLWRJMVXRUKFPA-UHFFFAOYSA-N |
Boiling Point: | 257.6 °C at 760 mmHg |
Density: | 1.614 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Yellow crystalline powder |
MDL: | MFCD00042153 |
LogP: | 3.95360 |
GHS Hazard Statement: | H302 (13.64%): 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-2018354349-A1 | Pyridine and pyrimidine carboxylate herbicides and methods of use thereof | 20171027 |
CA-3075658-A1 | Pyridine and pyrimidine carboxylate herbicides and methods of use thereof | 20171027 |
CN-111278283-A | Pyridine and pyrimidine formate herbicides and methods of use thereof | 20171027 |
TW-201922708-A | Pyridine and pyrimidine carboxylate herbicides and methods of use thereof | 20171027 |
WO-2019084353-A1 | CARBOXYLATE PYRIDINE AND PYRIMIDINE HERBICIDES AND METHODS OF USE | 20171027 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9913396 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9913396 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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