(S)-2-Chloro-alpha-methylbenzyl Alcohol - CAS 131864-71-6
Catalog: |
BB007506 |
Product Name: |
(S)-2-Chloro-alpha-methylbenzyl Alcohol |
CAS: |
131864-71-6 |
Synonyms: |
(1S)-1-(2-chlorophenyl)ethanol; (1S)-1-(2-chlorophenyl)ethanol |
IUPAC Name: | (1S)-1-(2-chlorophenyl)ethanol |
Description: | (S)-2-Chloro-alpha-methylbenzyl Alcohol (CAS# 131864-71-6) is a useful research chemical. |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | CC(C1=CC=CC=C1Cl)O |
InChI: | InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 |
InChI Key: | DDUBOVLGCYUYFX-LURJTMIESA-N |
Boiling Point: | 231.417 ℃ at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.182 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.39330 |
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 |
Publication Number | Title | Priority Date |
CN-110129382-B | Method for catalytic synthesis of chiral ortho-halogenated-alpha-phenylethyl alcohol by carbonyl reductase | 20190123 |
WO-2020144476-A1 | Manganese catalysts and their use in hydrogenation of ketones | 20190108 |
CN-113260623-A | Manganese catalysts and their use in the hydrogenation of ketones | 20190108 |
CN-108410830-A | A kind of method that ketoreductase and its catalysis prepare (S) -1- (2- chlorphenyls) ethyl alcohol | 20180315 |
CN-108410830-B | Ketoreductase and method for preparing (S) -1- (2-chlorphenyl) ethanol by catalyzing ketoreductase | 20180315 |
PMID | Publication Date | Title | Journal |
22281147 | 20120301 | Bioprocess design guided by in situ substrate supply and product removal: process intensification for synthesis of (S)-1-(2-chlorophenyl)ethanol | Bioresource technology |
22236335 | 20120111 | Host cell and expression engineering for development of an E. coli ketoreductase catalyst: enhancement of formate dehydrogenase activity for regeneration of NADH | Microbial cell factories |
17022667 | 20060901 | Asymmetric reduction of o-chloroacetophenone with Candida pseudotropicalis 104 | Biotechnology progress |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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: | 2.1 |
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