3-Chlorostyrene

Inquiry

Molecular Formula:

C8H7Cl

Molecular Weight:

138.59

CAS Number:

2039-85-2

Catalog Number:

2039-85-2

Product Information

Molecular Formula:

C8H7Cl

Molecular Weight:

138.59

Description

3-Chlorostyrene (CAS# 2039-85-2) is a useful research chemical.

Synonyms

1-chloro-3-ethenylbenzene; 1-chloro-3-ethenylbenzene

IUPAC Name

1-chloro-3-ethenylbenzene

Canonical SMILES

C=CC1=CC(=CC=C1)Cl

InChI

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

InChI Key

BOVQCIDBZXNFEJ-UHFFFAOYSA-N

Boiling Point

87 ℃ / 25 mmHg

Flash Point

63 ℃

Purity

> 98.0 % (GC)

Density

1.09 g/mL at 25 ℃ (lit.)

Solubility

Insol in water

Appearance

Colorless to almost colorless clear liquid

Storage

0-10 ℃

Refractive Index

n20/D 1.562 (lit.)

LogP

2.98300

Vapor Pressure

0.98 [mmHg]

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, and P501

Signal Word

Warning

Computed Properties

XLogP3

3.1

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
JP-2022040139-A	Polishing liquid, polishing liquid set and polishing method	2021-12-17
CN-113621099-A	Fluorescent microsphere and preparation method and application thereof	2021-08-25
CN-113683576-A	Isocyanurate, preparation method thereof and application thereof in high-frequency and high-speed resin	2021-08-24
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-113402492-A	Fluorescent probe and preparation method and application thereof	2021-06-30
CN-113402551-A	Vinyl functionalized phosphine ligand, preparation and application thereof	2021-05-28
CN-113307749-A	Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative	2021-05-26
JP-2022039942-A	Pneumatic tires	2021-04-28
JP-2022024983-A	Pneumatic tires	2021-03-11

Literatures

PMID	Publication Date	Title	Journal
22258641	2012-10-01	Expression and characterization of styrene monooxygenases of Rhodococcus sp. ST-5 and ST-10 for synthesizing enantiopure (S)-epoxides	Applied microbiology and biotechnology
21567268	2011-08-01	Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
19804982	2009-11-01	Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors	Bioorganic & medicinal chemistry
11718725	2001-11-16	Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation	FEBS letters
11312973	2001-02-23	Synthesis of 2,3-dihydroindoles, indoles, and anilines by transition metal-free amination of aryl chlorides	The Journal of organic chemistry

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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