(1-Chloroethyl) benzene
Product Information
Molecular Formula
C8H9Cl
Molecular Weight
140.61
Description
(1-Chloroethyl) benzene is an organic compound instrumental in biomedical research for the synthesis of various pharmaceutical drugs. It's a critical starting material in the creation of chemotherapeutic agents used in treating certain types of cancer.
Synonyms
1-chloroethylbenzene; 1-Chloro-1-phenylethane; 1-Phenylethyl chloride; alpha-Methylbenzyl chloride; Benzene, (1-chloroethyl)-; alpha-Phenylethyl chloride; 1-PHENYLETHYLCHLORIDE; (RS)-Phenethyl chloride; .alpha.-Phenylethyl chloride; .alpha.-Methylbenzyl chloride; 1-PHENYL-ETHYLCHLORIDE; alpha-Phenylethyl chloride, (+/-)-; a-Methylbenzyl chloride; 1-Phenyl-1-chloroethane; .alpha.-Phenethyl chloride; (.alpha.-Chloroethyl)benzene
IUPAC Name
1-chloroethylbenzene
SMILES
CC(C1=CC=CC=C1)Cl
InChI
InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key
GTLWADFFABIGAE-UHFFFAOYSA-N
Boiling Point
195 °C
Flash Point
44 °C
Purity
>97.0%(GC)
Density
1.06
Appearance
Colorless to Light yellow clear liquid
Refractive Index
1.53
Safety Information
Hazards
H315 H319 H226
Precautionary Statement
P501 P240 P210 P233 P243 P241 P242 P264 P280 P370 + P378 P337 + P313 P305 + P351 + P338 P362+P364 P303 + P361 + P353 P332 + P313 P403 + P235
Computed Properties
XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
140.0392780 g/mol
Monoisotopic Mass
140.0392780 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
74.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113979854-A | Method for electrochemically preparing 2-phenylpropionic acid | 2021-11-15 |
| CN-113651964-A | Lignin-based multifunctional composite flocculant and preparation method and application thereof | 2021-07-16 |
| CN-113603818-A | Saccharide-containing polyion liquid and preparation method and application thereof | 2021-07-06 |
| CN-213747961-U | A condenser for m-methyl benzyl chloride production | 2020-10-23 |
| CN-213854421-U | Chlorine distributor for m-methylbenzyl chloride production | 2020-10-23 |
| CN-214158572-U | Closed vacuum unit device for p-methylbenzyl chloride distillation | 2020-09-28 |
| WO-2022050062-A1 | Polymer, coating composition, resist composition, and article | 2020-09-03 |
| WO-2022045298-A1 | Hydrocarbon resin and method for producing hydrocarbon resin | 2020-08-31 |
| EP-3950736-A1 | Process for preparing high-reactivity isobutene homo- or copolymers | 2020-08-05 |
| WO-2022028951-A1 | Process for preparing high-reactivity isobutene homo- or copolymers | 2020-08-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21050441 | 2010-11-04 | Antiproliferative and pro-apoptotic effects afforded by novel Src-kinase inhibitors in human neuroblastoma cells | BMC cancer |
| 20145864 | 2010-02-27 | Electrochemical carboxylation of alpha-chloroethylbenzene in ionic liquids compressed with carbon dioxide | Physical chemistry chemical physics : PCCP |
| 21578796 | 2009-11-11 | 3-(1-Phenyl-ethyl)-1,3-thia-zinane-2-thione | Acta crystallographica. Section E, Structure reports online |
| 19739216 | 2009-10-12 | Palladium(II) complexes of new bulky bidentate phosphanes: active and highly regioselective catalysts for the hydroxycarbonylation of styrene | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 16850513 | 2006-09-25 | Electrocarboxylation of benzyl halides through redox catalysis on the preparative scale | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 15212908 | 2004-08-01 | The individual and cumulative effect of brominated flame retardant and polyvinylchloride (PVC) on thermal degradation of acrylonitrile-butadiene-styrene (ABS) copolymer | Chemosphere |
| 14987824 | 2004-02-01 | Synthesis of 1-(2-chloro-2-phenylethyl)-6-methylthio-1H-pyrazolo[3,4-d]pyrimidines 4-amino substituted and their biological evaluation | European journal of medicinal chemistry |
| 11701009 | 2001-11-16 | Hydrogen peroxide oxidation of mustard-model sulfides catalyzed by iron and manganese tetraarylporphyrines. Oxygen transfer to sulfides versus H(2)O(2) dismutation and catalyst breakdown | The Journal of organic chemistry |
| 4737 | 1976-04-29 | Bifurcated hydrogen bonds and flip--flop conformation in a modified nucleic acid base, gc6 Ade | Nature |
