4-Nitro-3-(trifluoromethyl)benzoic acid - CAS 320-38-7
Catalog: |
BB021136 |
Product Name: |
4-Nitro-3-(trifluoromethyl)benzoic acid |
CAS: |
320-38-7 |
Synonyms: |
4-nitro-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-nitro-3-(trifluoromethyl)benzoic acid |
Description: | 4-Nitro-3-(trifluoromethyl)benzoic acid (CAS# 320-38-7) is a useful research chemical. |
Molecular Weight: | 235.12 |
Molecular Formula: | C8H4F3NO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H4F3NO4/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12(15)16/h1-3H,(H,13,14) |
InChI Key: | JIQCKYQIVYCTEZ-UHFFFAOYSA-N |
Boiling Point: | 348.6 ℃ at 760 mmHg |
Melting Point: | 160-164 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.596 g/cm3 |
Appearance: | White to orange to tan powder or crystals |
MDL: | MFCD06200716 |
LogP: | 2.83500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 20201104 |
CN-112225897-A | Trifluoromethyl substituted aromatic diamine compound containing aromatic ester structure and preparation method thereof | 20201019 |
US-10546303-B2 | Optically visible carbon nanotube with nanocrystals decoration as unique ID | 20170321 |
US-2018276682-A1 | Optically Visible Carbon Nanotube with Nanocrystals Decoration as Unique ID | 20170321 |
AU-2016243527-A1 | Maytansinoid derivatives, conjugates thereof, and methods of use | 20150327 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.00924210 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.00924210 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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