2-Iodo-3-methylbenzoic acid - CAS 108078-14-4
Catalog: |
BB002166 |
Product Name: |
2-Iodo-3-methylbenzoic acid |
CAS: |
108078-14-4 |
Synonyms: |
2-iodo-3-methylbenzoic acid |
IUPAC Name: | 2-iodo-3-methylbenzoic acid |
Description: | 2-Iodo-3-methylbenzoic acid (CAS# 108078-14-4) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=CC=CC(=C1I)C(=O)O |
InChI: | InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | PZUXUOZSSYKAMX-UHFFFAOYSA-N |
Boiling Point: | 323.5 °C at 760 mmHg |
Melting Point: | 150-153 °C (lit.) |
Purity: | 95 % |
Density: | 1.867 g/cm3 |
MDL: | MFCD00079764 |
LogP: | 2.29780 |
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-108409758-A | The crystalline material and its preparation method and application of the cluster compound of rare earth containing double-core | 20180510 |
JP-2019151586-A | Complex compound, method for producing compound having carbon-carbon triple bond, method for producing intermediate of said method, and kit used in these methods | 20180302 |
EP-3620449-A1 | Novel compound and organic light-emitting element using same | 20171110 |
US-2020106017-A1 | Novel compound and organic light emitting device using the same | 20171110 |
US-2017207397-A1 | Organic light emitting compounds and organic light emitting devices including the same | 20160118 |
PMID | Publication Date | Title | Journal |
21617770 | 20110101 | New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities | Scientia pharmaceutica |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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