(2-Chloroethyl)benzene - CAS 622-24-2
Catalog: |
BB031465 |
Product Name: |
(2-Chloroethyl)benzene |
CAS: |
622-24-2 |
Synonyms: |
2-chloroethylbenzene |
IUPAC Name: | 2-chloroethylbenzene |
Description: | (2-Chloroethyl)benzene (CAS# 622-24-2) is a versatile starting material used in the synthesis of various chemical compounds such as Clocoumarol (C583835), an anticoagulant drug. |
Molecular Weight: | 140.61 |
Molecular Formula: | C8H9Cl |
Canonical SMILES: | C1=CC=C(C=C1)CCCl |
InChI: | InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | MNNZINNZIQVULG-UHFFFAOYSA-N |
Boiling Point: | 199-84 °C |
Melting Point: | -60 °C |
Purity: | 95 % |
Density: | 1.069 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000977 |
LogP: | 2.46790 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 1.69 mm Hg at 25 °C |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372383-A | Preparation method of organic phosphate compound | 20210707 |
CN-112871218-A | Neutral nickel complex containing ortho-carborane-based benzothiazole, and preparation and application thereof | 20210209 |
CN-112679515-A | Benzofuran derivative and preparation method and application thereof | 20201230 |
CN-214064208-U | Buffer device for alpha-chloroethylbenzene tail gas | 20201217 |
CN-214131675-U | Synthesizer of alpha-chloroethylbenzene | 20201217 |
PMID | Publication Date | Title | Journal |
20145864 | 20100227 | Electrochemical carboxylation of alpha-chloroethylbenzene in ionic liquids compressed with carbon dioxide | Physical chemistry chemical physics : PCCP |
18491909 | 20080618 | The mechanism of 1,4 alkyl group migration in hypervalent halonium ylides: the stereochemical course | Journal of the American Chemical Society |
17919024 | 20071007 | Resonant two-photon ionization and ab initio conformational analysis of haloethyl benzenes (PhCH(2)CH(2)X,X=Cl,F) | The Journal of chemical physics |
15125936 | 20040607 | Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand | Bioorganic & medicinal chemistry letters |
14725483 | 20040123 | Intervention of phenonium ion in Ritter reactions | The Journal of organic chemistry |
Complexity: | 65 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0392780 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0392780 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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