2,4,5-Trifluorobenzoyl chloride - CAS 88419-56-1
Catalog: |
BB038848 |
Product Name: |
2,4,5-Trifluorobenzoyl chloride |
CAS: |
88419-56-1 |
Synonyms: |
2,4,5-trifluorobenzoyl chloride |
IUPAC Name: | 2,4,5-trifluorobenzoyl chloride |
Description: | 2,4,5-Trifluorobenzoyl chloride (CAS# 88419-56-1) is a useful research chemical. |
Molecular Weight: | 194.54 |
Molecular Formula: | C7H2ClF3O |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)F)C(=O)Cl |
InChI: | InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H |
InChI Key: | STBGCAUUOPNJBH-UHFFFAOYSA-N |
Boiling Point: | 173.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.52 g/cm3 |
Appearance: | Clear colorless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture. |
MDL: | MFCD00061204 |
LogP: | 2.48290 |
GHS Hazard Statement: | H314 (56.96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112142595-A | Preparation method and purification method of ethyl 2, 4, 5-trifluorobenzoylacetate | 20201012 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
CN-110423216-B | 2- (1-adamantane carboxamide) ethyl formate compound and preparation method and application thereof | 20190826 |
WO-2020161663-A1 | Dihydroorotate dehydrogenase inhibitors | 20190207 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.9746269 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.9746269 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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