3-Chlorostyrene

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 °C / 25 mmHg
Flash Point
63 °C
Purity
> 98.0 % (GC)
Density
1.09 g/mL at 25 °C (lit.)
Solubility
Insol in water
Appearance
Colorless to almost colorless clear liquid
Storage
0-10 °C
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
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
138.0236279 g/mol
Monoisotopic Mass
138.0236279 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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