4-Fluoro-2-iodobenzoic acid - CAS 56096-89-0
Catalog: |
BB029251 |
Product Name: |
4-Fluoro-2-iodobenzoic acid |
CAS: |
56096-89-0 |
Synonyms: |
4-fluoro-2-iodobenzoic acid |
IUPAC Name: | 4-fluoro-2-iodobenzoic acid |
Description: | 4-Fluoro-2-iodobenzoic acid (CAS# 56096-89-0) is a reagent used in organic synthesis including amixile-based inhibitors of the pyruvate-ferredoxin oxidoreductases of anaerobic bacteria. |
Molecular Weight: | 266.01 |
Molecular Formula: | C7H4FIO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)I)C(=O)O |
InChI: | InChI=1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
InChI Key: | DUKFTVLJAXWGPI-UHFFFAOYSA-N |
Boiling Point: | 309.4 °C at 760 mmHg |
Melting Point: | 140-147 °C |
Purity: | 98 % |
Density: | 2.074 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04108278 |
LogP: | 2.12850 |
GHS Hazard Statement: | H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113200908-A | Tertiary amine-containing anthranilamide compound and preparation and application thereof | 20210409 |
EP-3854789-A1 | Macrocyclic compounds useful as chitinase inhibitors | 20200122 |
CN-111138445-A | Method for preparing 5, 12-dioxaanthracene-6, 11-diketone compound by nickel catalysis | 20200119 |
WO-2021127356-A1 | Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same | 20191220 |
WO-2021028935-A1 | Heterocyclic compounds, and their use as allosteric modulators of 5-hydroxytryptamine 2c receptor (5-ht2cr) | 20190812 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.92401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.92401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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