5-Chloro-2-methylphenol - CAS 5306-98-9
Catalog: |
BB028033 |
Product Name: |
5-Chloro-2-methylphenol |
CAS: |
5306-98-9 |
Synonyms: |
5-chloro-2-methylphenol |
IUPAC Name: | 5-chloro-2-methylphenol |
Description: | 5-Chloro-2-methylphenol can be used in the preparation of dichlorotoluqinones. |
Molecular Weight: | 142.58 |
Molecular Formula: | C7H7ClO |
Canonical SMILES: | CC1=C(C=C(C=C1)Cl)O |
InChI: | InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3 |
InChI Key: | KKFPXGXMSBBNJI-UHFFFAOYSA-N |
Boiling Point: | 219.2 °C at 760 mmHg |
Density: | 1.228 g/cm3 |
MDL: | MFCD00060672 |
LogP: | 2.35400 |
GHS Hazard Statement: | H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18682861 | 20080828 | Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.0185425 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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