2,6-DICHLOROSTYRENE

Inquiry

Molecular Formula:

C8H6Cl2

Molecular Weight:

173.04

CAS Number:

28469-92-3

Catalog Number:

28469-92-3

Product Information

Molecular Formula:

C8H6Cl2

Molecular Weight:

173.04

Description

2,6-Dichlorostyrene, predominantly employed within the realm of biomedical studies, serves as an instrumental molecular component in devising antifungal pharmacological solutions. Its unique chemical functionality fosters the creation of complex organic compounds possessing fungus-inhibitory qualities, thereby facilitating the efficacious management of mycoses.

Synonyms

1,3-Dichloro-2-vinylbenzene; Benzene, 1,3-dichloro-2-ethenyl-; styrene,2,6-dichloro-; 2,6-DICHLOROVINYLBENZENE; 2,6-DICHLOROSTYRENE; 2,6-Dichlorostyrene, stabilized, 98%

IUPAC Name

1,3-dichloro-2-ethenylbenzene

Canonical SMILES

C=CC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2

InChI Key

YJCVRMIJBXTMNR-UHFFFAOYSA-N

Boiling Point

88-90°C(8 torr)

Flash Point

159.8 °CF - closed cup

Purity

95%

Density

1,266 g/cm³

Appearance

clear colourless liquid

Storage

0-6°C

Refractive Index

n20/D 1.574 (lit.)

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

171.9846556 g/mol

Monoisotopic Mass

171.9846556 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

112

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
WO-2021105590-A1	Self-sealing composition for an inflatable article	2019-11-27
WO-2021105637-A1	Microgels and the stimulable photonic and interference applications thereof	2019-11-27
WO-2021094903-A1	1-(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)piperidin-1-yl)-ethan-1-one derivatives and related compounds as fungicides for crop protection	2019-11-11
WO-2021094905-A1	1 -(4-(4-(5-phenyl-4,5-dihydroisoxazol-3-yl)thiazol-2-yl)piperidin-1 -yl)-ethan-1 -one derivatives and related compounds as fungicides for crop protection	2019-11-11
US-2021101905-A1	Development of Imaging and Therapeutic Glucose Analogues for Sodium Dependent Glucose Transporters	2019-10-04
WO-2021067738-A1	Development of imaging and therapeutic glucose analogues for sodium dependent glucose transporters	2019-10-04
WO-2021005193-A1	Resin composition for 3d printing	2019-07-11
WO-2020235660-A1	Laminate	2019-05-22
WO-2020235661-A1	Tackifying composition	2019-05-22
WO-2020235662-A1	Resin composition, method for producing resin composition, and molded article	2019-05-22

Literatures

PMID	Publication Date	Title	Journal
17591757	2007-07-19	Molecular structure, vinyl rotation barrier, and vibrational dynamics of 2,6-dichlorostyrene. A theoretical and experimental research	The journal of physical chemistry. A

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