3-Nitro-5-(trifluoromethyl)benzoic Acid - CAS 328-80-3
Catalog: |
BB021456 |
Product Name: |
3-Nitro-5-(trifluoromethyl)benzoic Acid |
CAS: |
328-80-3 |
Synonyms: |
3-nitro-5-(trifluoromethyl)benzoic acid; 3-nitro-5-(trifluoromethyl)benzoic acid |
IUPAC Name: | 3-nitro-5-(trifluoromethyl)benzoic acid |
Description: | 3-Nitro-5-(trifluoromethyl)benzoic Acid (CAS# 328-80-3) is a useful research chemical. |
Molecular Weight: | 235.12 |
Molecular Formula: | C8H4F3NO4 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14) |
InChI Key: | ODCLHXGXGFBBTA-UHFFFAOYSA-N |
Boiling Point: | 175.9 °C at 760 mmHg |
Density: | 1.464 g/cm3 |
MDL: | MFCD00024509 |
LogP: | 2.83500 |
GHS Hazard Statement: | H302 (80.85%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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-108976135-B | Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide | 20180806 |
CN-109053470-B | Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide | 20180806 |
CN-109053474-B | Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide | 20180806 |
US-2021120813-A1 | Inhibitors of the shikimate pathway | 20180625 |
WO-2019067741-A1 | CONJUGATED PROTEINS AND USES THEREOF | 20170927 |
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: | 2.2 |
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