2-Chlorostyrene

Inquiry

Molecular Formula:

C8H7Cl

Molecular Weight:

138.60

CAS Number:

2039-87-4

Catalog Number:

2039-87-4

Product Information

Molecular Formula:

C8H7Cl

Molecular Weight:

138.60

Description

O-chlorostyrene is a clear yellow liquid.

Synonyms

(2-chlorophenyl)ethylene; 1-chloro-2-ethenylbenzene; 1-Chloro-2-vinylbenzene; 2-chloro-styren; Benzene, 1-chloro-2-ethenyl-; benzene,1-chloro-2-ethenyl-; o-chloro-stryen; o-chloro-styren

IUPAC Name

1-chloro-2-ethenylbenzene

Canonical SMILES

C=CC1=CC=CC=C1Cl

InChI

InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

InChI Key

ISRGONDNXBCDBM-UHFFFAOYSA-N

Boiling Point

187 °C

Melting Point

-63 °C

Flash Point

58 °C

Purity

>96.0%(GC)

Density

1.08

Solubility

less than 1 mg/mL at 70 °F

Appearance

Clear yellow liquid.

Application

Used to produce polymers and other organic chemicals.

Storage

0-10°C

Refractive Index

n20/D 1.565 (lit.)

LogP

3.58

Vapor Pressure

0.96 mmHg at 77 °F

Decomposition

When heated to decomposition it emits toxic fumes of /chlorides.

Odor

Limited evidence indicates that the odor-warning property of o-chlorostyrene does not offer adequate warning & that vapor concns must approach 400-600 ppm to discourage exposures to even unacclimated workers.

Safety Information

Hazards

H226:
Flammable liquid and vapour.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P370+P378:
In case of fire:
Use for extinction:

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

138.0236279 g/mol

Monoisotopic Mass

138.0236279 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

98.7

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114181441-A	Ice surface anti-slip sole and preparation method thereof	2021-12-25
CN-114058273-A	Resin-based film, adhesive tape and method for preparing conductive pole piece by using adhesive tape	2021-11-08
CN-113862708-A	Method for electrochemically synthesizing beta-cyano-bis-phenylsulfonyl imide compound	2021-11-03
CN-113683633-A	Preparation method of alkyl borate	2021-08-31
CN-113801551-A	Two-component coating composition and articles made therefrom	2021-08-26
CN-113621099-A	Fluorescent microsphere and preparation method and application thereof	2021-08-25
CN-113582915-A	Synthesis method of 4-substituted pyridine compound	2021-07-25
KR-102364956-B1	Prefabricated panels for thermal insulation	2021-07-15
CN-113548936-A	Aroyldifluoromethyl olefin and preparation method thereof	2021-07-13
CN-113354763-A	Preparation method and application of oil-soluble viscosity reducer	2021-06-02

Literatures

PMID	Publication Date	Title	Journal
22181166	2011-10-01	Glass transition dynamics of stacked thin polymer films	Physical review. E, Statistical, nonlinear, and soft matter physics
21619852	2011-02-01	[Determination of o-chlorostyrene in the air of workplace by gas chromatography]	Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases
21230491	2010-11-01	Anomalous increase in dielectric susceptibility during isothermal aging of ultrathin polymer films	Physical review. E, Statistical, nonlinear, and soft matter physics
20364996	2009-11-01	Aging dynamics in the polymer glass of poly(2-chlorostyrene): Dielectric susceptibility and volume	Physical review. E, Statistical, nonlinear, and soft matter physics
19229343	2008-01-01	An Effective On-line Polymer Characterization Technique by Using SALS Image Processing Software and Wavelet Analysis	Journal of automated methods & management in chemistry
15592614	2004-12-21	Catalytic asymmetric heterogeneous aziridination of styrene derivatives using bis(oxazoline)-modified Cu2+-exchanged zeolite Y	Organic & biomolecular chemistry
11346811	2001-05-10	Spontaneous intracerebral hemorrhage	The New England journal of medicine

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The dilution calculator equation

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