1-(4-Chlorophenyl)ethanol - CAS 3391-10-4
Catalog: |
BB021894 |
Product Name: |
1-(4-Chlorophenyl)ethanol |
CAS: |
3391-10-4 |
Synonyms: |
Benzenemethanol, 4-chloro-α-methyl-; 4-Chloro-α-methylbenzenemethanol; Benzyl alcohol, p-chloro-α-methyl-; (±)-1-(4-Chlorophenyl)ethanol; (±)-1-(p-Chlorophenyl)ethanol; 1-(4-Chlorophenyl)ethan-1-ol; 1-(p-Chlorophenyl)ethanol; 1-p-Chlorophenylethyl alcohol; 4-Chloro-α-methylbenzyl alcohol; 4-Chlorophenylmethylcarbinol; CPE; CPE (chlorophenyl ethanol); NSC 87867; p-Chloro-α-methylbenzyl alcohol; p-Chloro-α-phenylethanol; α-(p-Chlorophenyl)ethanol; α-Methyl-4-chlorobenzenemethanol; α-Methyl-4-chlorobenzyl alcohol |
Related CAS: | 75968-35-3 (Deleted CAS) 1375747-87-7 (Deleted CAS)
|
IUPAC Name: | 1-(4-chlorophenyl)ethanol |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | CC(C1=CC=C(C=C1)Cl)O |
InChI: | InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3 |
InChI Key: | MVOSNPUNXINWAD-UHFFFAOYSA-N |
Boiling Point: | 140-142°C at 31 Torr |
Purity: | 95% |
Density: | 1.171 g/cm3 |
Appearance: | Colorless to Pale Yellow Liquid |
Storage: | Store at RT |
LogP: | 2.39330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354556-A | C3Chiral ligand H3L with symmetry amide bond, preparation method and application | 20210705 |
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PMID | Publication Date | Title | Journal |
22099947 | 20111120 | Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones | BMC biotechnology |
21866703 | 20110601 | [Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis] | Wei sheng wu xue bao = Acta microbiologica Sinica |
20702098 | 20110101 | Measurement of 60Co high gamma dose using gamma activation of 115 In and 111 Cd foils | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
20097084 | 20100601 | Dose mapping using MCNP code and experiment for SVST-Co-60/B irradiator in Vietnam | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
20405879 | 20100521 | Synthesis of (-)-(S,S)-clemastine by invertive N --> C aryl migration in a lithiated carbamate | Organic letters |
Complexity: | 97.4 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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