4-Iodo-m-xylene - CAS 4214-28-2
Catalog: |
BB025055 |
Product Name: |
4-Iodo-m-xylene |
CAS: |
4214-28-2 |
Synonyms: |
1-iodo-2,4-dimethylbenzene; 1-iodo-2,4-dimethylbenzene |
IUPAC Name: | 1-iodo-2,4-dimethylbenzene |
Description: | 4-Iodo-m-xylene (CAS# 4214-28-2) is a reactant used in the preparation of paralog-selective Hsp90 inhibitors. |
Molecular Weight: | 232.06 |
Molecular Formula: | C8H9I |
Canonical SMILES: | CC1=CC(=C(C=C1)I)C |
InChI: | InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3 |
InChI Key: | BUNKQJAMHYKQIM-UHFFFAOYSA-N |
Boiling Point: | 112 °C (20 mmHg) |
Density: | 1.628 g/mL at 25°C(lit.) |
Appearance: | Light yellow liquid |
MDL: | MFCD00013706 |
LogP: | 2.90800 |
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 |
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Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.97490 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.97490 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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