1-Allyl-4-(trifluoromethyl)benzene

CAS
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Purity
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CAS
1813-97-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM1813974

Product Name

1-Allyl-4-(trifluoromethyl)benzene

Structure

Structure

CAS

1813-97-4

Category

Heterocyclic Organic Compound

Synonyms

1-Allyl-4-(trifluoromethyl)benzene, 1813-97-4, Benzene, 1-(2-propenyl)-4-(trifluoromethyl)-, ACMC-20aoyi, 4-Allylbenzotrifluoride, SureCN8002836, 4-(Trifluoromethyl)allylbenzene, AGN-PC-007G96, CTK0E2984, AKOS006283748, AG-E-31430, 3-[(4-Trifluoromethyl)phenyl]-1-propene

IUPAC Name

1-prop-2-enyl-4-(trifluoromethyl)benzene

Molecular Weight

186.17

Molecular Formula

C10H9F3

Canonical SMILES

C=CCC1=CC=C(C=C1)C(F)(F)F

InChI Key

AEVBWCOLYXWNMX-UHFFFAOYSA-N

Boiling Point

176.3ºC at 760 mmHg

Flash Point

52.2ºC

Density

1.112g/cm³

Exact Mass

186.06600

Hazard Statements

H226-H302-H312-H314-H331

H-Bond Acceptor

3

H-Bond Donor

0

RIDADR

UN 2734PSN1 3(8) / PGII

Symbol

GHS02

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula is C10H9F3.

What is the molecular weight of the compound?

The molecular weight is 186.17 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-prop-2-enyl-4-(trifluoromethyl)benzene.

What is the InChI of the compound?

The InChI is InChI=1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2.

What is the InChIKey of the compound?

The InChIKey is AEVBWCOLYXWNMX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C=CCC1=CC=C(C=C1)C(F)(F)F.

What is the CAS number of the compound?

The CAS number is 1813-97-4.

What is the EC number of the compound?

The EC number is 631-469-5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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