(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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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