(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol - CAS 877397-65-4
Catalog: |
BB038615 |
Product Name: |
(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol |
CAS: |
877397-65-4 |
Synonyms: |
Benzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-, (αS)-; (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol; (1S)-1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol |
IUPAC Name: | (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol |
Description: | (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol is an intermediate in the synthetic preparation of Crizotinib, which is a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK) as a potential antitumor agent. |
Molecular Weight: | 209.04 |
Molecular Formula: | C8H7Cl2FO |
Canonical SMILES: | CC(C1=C(C=CC(=C1Cl)F)Cl)O |
InChI: | InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1 |
InChI Key: | JAOYKRSASYNDGH-BYPYZUCNSA-N |
Boiling Point: | 261.3±35.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.406±0.06 g/cm3 |
Appearance: | White Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD09863793 |
LogP: | 3.18580 |
GHS Hazard Statement: | H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112522224-A | Alcohol dehydrogenase mutant with improved activity and stereoselectivity, recombinant vector, genetic engineering bacteria and application thereof | 20201228 |
CN-112552144-A | Crizotinib intermediate and refining method thereof | 20201225 |
KR-20200096455-A | Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components | 20200803 |
CN-111606782-A | Synthesis method of (S) -1- (2, 6-dichloro-3-fluorophenyl) -ethanol | 20200611 |
CN-111474262-A | Method for detecting crizotinib intermediate | 20200426 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9857984 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9857984 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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