4-Nitro-2-(trifluoromethyl)aniline - CAS 121-01-7
Catalog: |
BB005018 |
Product Name: |
4-Nitro-2-(trifluoromethyl)aniline |
CAS: |
121-01-7 |
Synonyms: |
4-nitro-2-(trifluoromethyl)aniline |
IUPAC Name: | 4-nitro-2-(trifluoromethyl)aniline |
Description: | 4-Nitro-2-(trifluoromethyl)aniline (CAS# 121-01-7) is a useful research chemical. |
Molecular Weight: | 206.12 |
Molecular Formula: | C7H5F3N2O2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N |
InChI: | InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2 |
InChI Key: | HOTZLWVITTVZGY-UHFFFAOYSA-N |
Boiling Point: | 298 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.503 g/cm3 |
Appearance: | Yellow to brown powder |
MDL: | MFCD00007365 |
LogP: | 3.30020 |
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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112225676-A | Fluorine-containing aromatic diamine compound and preparation method thereof, fluorine-containing polyimide compound and preparation method thereof | 20201019 |
CN-112062962-A | Polyimide and high-heat-resistance low-expansion transparent polyimide film | 20200828 |
CN-112939818-A | Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride | 20191211 |
KR-20200139577-A | Poly(amide-imide) copolymer, composition for preparing poly(amide-imide) copolymer, article including poly(amide-imide) copolymer, and display device including the article | 20190604 |
US-2020385524-A1 | Poly(amide-imide) copolymer, composition for preparing same, article including same, and display device including the article | 20190604 |
PMID | Publication Date | Title | Journal |
11828121 | 20020201 | Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R(4)(4)(12) and R(4)(4)(32) rings in 3-trifluoromethyl-4-nitroaniline | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03031189 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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