1-Allyl-4-(trifluoromethyl)benzene

• CAS: 1813-97-4
• Catalog Number: ACM1813974
• Category: Other Products; Alkenes
• Molecular Weight: 186.17
• Molecular Formula: C10H9F3
• 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
• 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

Custom Q&A

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.