Benzonitrile,2,6-bis(2,2,2-trifluoroethoxy)-

CAS
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Purity
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CAS
93624-57-8
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM93624578

Product Name

Benzonitrile,2,6-bis(2,2,2-trifluoroethoxy)-

Structure

Structure

CAS

93624-57-8

Category

Heterocyclic Organic Compound

Synonyms

Maybridge1_005459, DivK1c_001747, CDS1_000707, MWP 00904, ZINC00162066, CID2736080, SR-01000636496-1, 93624-57-8

IUPAC Name

2,6-bis(2,2,2-trifluoroethoxy)benzonitrile

Molecular Weight

299.1692

Molecular Formula

C₁₁H₇F₆NO₂

InChI Key

YVHZUTZJZUYWBO-UHFFFAOYSA-N

Boiling Point

305.9ºC at 760 mmHg

Melting Point

115-117ºC

Flash Point

138.8ºC

Density

1.42 g/cm³

Appearance

white solid

Exact Mass

299.03800

Hazard Statements

Xi

H-Bond Acceptor

9

H-Bond Donor

0

Packing Group

III

Safety Description

22 26-36/37 39

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The molecular formula is C11H7F6NO2.

What is the molecular weight of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The molecular weight is 299.17 g/mol.

What is the IUPAC name of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The IUPAC name is 2,6-bis(2,2,2-trifluoroethoxy)benzonitrile.

What is the Canonical SMILES of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The Canonical SMILES is C1=CC(=C(C(=C1)OCC(F)(F)F)C#N)OCC(F)(F)F.

What is the InChIKey of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The InChIKey is YVHZUTZJZUYWBO-UHFFFAOYSA-N.

What is the CAS number of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The CAS number is 93624-57-8.

How many hydrogen bond acceptor counts does Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) have?

It has 9 hydrogen bond acceptor counts.

What is the XLogP3-AA value of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?

The XLogP3-AA value is 3.8.

Is Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) a covalently-bonded unit?

Yes, it is a covalently-bonded unit.

How many rotatable bond counts does Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) have?

It has 4 rotatable bond counts.

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