4-Chloro-2-methylbenzyl alcohol - CAS 129716-11-6
Catalog: |
BB007010 |
Product Name: |
4-Chloro-2-methylbenzyl alcohol |
CAS: |
129716-11-6 |
Synonyms: |
(4-chloro-2-methylphenyl)methanol |
IUPAC Name: | (4-chloro-2-methylphenyl)methanol |
Description: | 4-Chloro-2-methylbenzyl alcohol (CAS# 129716-11-6) is a useful research chemical. |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)CO |
InChI: | InChI=1S/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3 |
InChI Key: | AHXBDGJNZJKLNE-UHFFFAOYSA-N |
Boiling Point: | 258.8 °C at 760 mmHg |
Melting Point: | 60-64 °C (lit.) |
Purity: | 95 % |
Density: | 1.191 g/cm3 |
Appearance: | Solid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06201140 |
LogP: | 2.14070 |
GHS Hazard Statement: | H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10442779-B2 | Compositions and methods for treating Friedreich's ataxia | 20140922 |
US-2016083358-A1 | Compositions and methods for treating friedreich's ataxia | 20140922 |
US-2016214971-A1 | Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors | 20131001 |
US-9663508-B2 | Biaryl acyl-sulfonamide compounds as sodium channel inhibitors | 20131001 |
TW-201429959-A | Heterocyclic nuclear hormone receptor modulator | 20121221 |
PMID | Publication Date | Title | Journal |
16724218 | 20061001 | Identification of sulfation sites of metabolites and prediction of the compounds' biological effects | Analytical and bioanalytical chemistry |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0341926 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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