3-Iodobenzoic acid - CAS 618-51-9
Catalog: |
BB031291 |
Product Name: |
3-Iodobenzoic acid |
CAS: |
618-51-9 |
Synonyms: |
3-iodobenzoic acid |
IUPAC Name: | 3-iodobenzoic acid |
Description: | 3-Iodobenzoic acid (CAS# 618-51-9) is a compound useful in organic synthesis. |
Molecular Weight: | 248.02 |
Molecular Formula: | C7H5IO2 |
Canonical SMILES: | C1=CC(=CC(=C1)I)C(=O)O |
InChI: | InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
InChI Key: | KVBWBCRPWVKFQT-UHFFFAOYSA-N |
Boiling Point: | 337.2 °C at 760 mmHg |
Melting Point: | 185-189 °C |
Purity: | 98 % |
Density: | 1.999 g/cm3 |
Appearance: | White to beige powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00002496 |
LogP: | 1.98940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004241-A | 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof | 20210305 |
CN-112276412-A | Laser welding solder paste and preparation method thereof | 20201029 |
JP-6928294-B1 | Solder paste | 20201002 |
JP-6928295-B1 | Flux and solder paste | 20201002 |
JP-6928296-B1 | Solder paste | 20201002 |
PMID | Publication Date | Title | Journal |
22058769 | 20111001 | 2-(Tritylsulfan-yl)ethyl 3-iodo-benzoate | Acta crystallographica. Section E, Structure reports online |
21811604 | 20110101 | Synthesis and investigation of a radioiodinated F3 peptide analog as a SPECT tumor imaging radioligand | PloS one |
19421633 | 20090507 | Sulfato-bridged ECE-pincer palladium(II) complexes: structures in the solid-state and in solution, and catalytic properties | Dalton transactions (Cambridge, England : 2003) |
19057072 | 20081201 | The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules | Acta crystallographica. Section C, Crystal structure communications |
18454143 | 20080601 | Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility | Nature chemical biology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.93343 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.93343 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS