(E)-Beta-2,3,4,5,6-hexachlorostyrene

CAS
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CAS
90301-92-1
Size
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Purity
96%
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Availability
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Catalog Number

ACM90301921

Product Name

(E)-Beta-2,3,4,5,6-hexachlorostyrene

Structure

Structure

CAS

90301-92-1

Category

Heterocyclic Organic Compound

Synonyms

trans-Hexachlorostyrene, CCRIS 5680, 90301-92-1, AC1L4775, (E)-beta,2,3,4,5,6-Hexachlorostyrene, LS-188831, 1,2,3-trichloro-4-(trichloroethenyl)benzene, Benzene, pentachloro(2-chloroethenyl)-, (E)-, 1,2,3-trichloro-4-(1,2,2-trichloroethenyl)benzene

IUPAC Name

1,2,3-trichloro-4-(1,2,2-trichloroethenyl)benzene

Molecular Weight

310.8

Molecular Formula

C₈H₂Cl₆

Canonical SMILES

C1=CC(=C(C(=C1C(=C(Cl)Cl)Cl)Cl)Cl)Cl

InChI Key

RSEIQYACGPEBJD-UHFFFAOYSA-N

Boiling Point

351.7ºC at 760 mmHg

Flash Point

170.5ºC

Density

1.661g/cm³

Exact Mass

307.82900

H-Bond Acceptor

0

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The molecular formula is C8H2Cl6.

What is the molecular weight of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The molecular weight is 310.8 g/mol.

What is the IUPAC name of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The IUPAC name is 1,2,3,4,5-pentachloro-6-[(E)-2-chloroethenyl]benzene.

What is the InChI of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The InChI is InChI=1S/C8H2Cl6/c9-2-1-3-4(10)6(12)8(14)7(13)5(3)11/h1-2H/b2-1+.

What is the InChIKey of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The InChIKey is FHYTVYKUXNWGBE-OWOJBTEDSA-N.

What is the canonical SMILES of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The canonical SMILES is C(=CCl)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl.

What is the isomeric SMILES of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The isomeric SMILES is C(=C/Cl)\C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl.

What is the XLogP3-AA value of (E)-Beta-2,3,4,5,6-hexachlorostyrene?

The XLogP3-AA value is 6.1.

How many rotatable bonds does (E)-Beta-2,3,4,5,6-hexachlorostyrene have?

(E)-Beta-2,3,4,5,6-hexachlorostyrene has 1 rotatable bond.

Is (E)-Beta-2,3,4,5,6-hexachlorostyrene a canonicalized compound?

Yes, (E)-Beta-2,3,4,5,6-hexachlorostyrene is a canonicalized compound.

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