Methyl 4-iodobenzoate - CAS 619-44-3
Catalog: |
BB031345 |
Product Name: |
Methyl 4-iodobenzoate |
CAS: |
619-44-3 |
Synonyms: |
methyl 4-iodobenzoate |
IUPAC Name: | methyl 4-iodobenzoate |
Description: | Methyl 4-iodobenzoate (CAS# 619-44-3) is a useful research chemical compound. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)I |
InChI: | InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
InChI Key: | DYUWQWMXZHDZOR-UHFFFAOYSA-N |
Boiling Point: | 276.1 °C at 760 mmHg |
Melting Point: | 112-116 °C |
Purity: | 98 % |
Density: | 1.753 g/cm3 |
Appearance: | Beige to pale pink crystalline powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00016353 |
LogP: | 2.07780 |
GHS Hazard Statement: | H315 (91.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 139 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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