3-(Trifluoromethyl)anisole

• CAS: 454-90-0
• Catalog Number: ACM454900
• Category: Other Products
• Molecular Weight: 176.14
• Molecular Formula: C₈H₇F₃O
• Synonyms: 3-(Trifluoromethyl)aisole;1-Methoxy-3-(trifluoromethyl)-benzene;3-METHOXYBENZOTRIFLUORIDE;3-(TRIFLUOROMETHYL)ANISOLE;M-TRIFLUOROMETHYLMETHOXYBENZENE;m-Trifluoromethylanisole;3-(TRIFLUOROMETHYL)ANISOLE99%;3-Methoxy-α,α,α-trifluorobenzene
• Boiling Point: 160°C
• Flash Point: 120°F
• Density: 1.217g/mL at 25°C(lit.)
• Hazard Statements: F
• Safety Description: 16
• Supplemental Hazard Statements: H226-H315-H319-H335
• Symbol: GHS02,GHS07

Custom Q&A

What is the molecular formula of 3-(Trifluoromethyl)anisole?

The molecular formula of 3-(Trifluoromethyl)anisole is C8H7F3O.

What is the molecular weight of 3-(Trifluoromethyl)anisole?

The molecular weight of 3-(Trifluoromethyl)anisole is 176.14 g/mol.

What is the IUPAC name of 3-(Trifluoromethyl)anisole?

The IUPAC name of 3-(Trifluoromethyl)anisole is 1-methoxy-3-(trifluoromethyl)benzene.

What is the InChI of 3-(Trifluoromethyl)anisole?

The InChI of 3-(Trifluoromethyl)anisole is InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3.

What is the InChIKey of 3-(Trifluoromethyl)anisole?

The InChIKey of 3-(Trifluoromethyl)anisole is XHONYVFDZSPELQ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Trifluoromethyl)anisole?

The canonical SMILES of 3-(Trifluoromethyl)anisole is COC1=CC=CC(=C1)C(F)(F)F.

What is the CAS number of 3-(Trifluoromethyl)anisole?

The CAS number of 3-(Trifluoromethyl)anisole is 454-90-0.

What is the European Community (EC) Number of 3-(Trifluoromethyl)anisole?

The European Community (EC) Number of 3-(Trifluoromethyl)anisole is 207-229-7.

What is the XLogP3 value of 3-(Trifluoromethyl)anisole?

The XLogP3 value of 3-(Trifluoromethyl)anisole is 2.8.

Is 3-(Trifluoromethyl)anisole a canonicalized compound?

Yes, 3-(Trifluoromethyl)anisole is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 401-78-5
• 124-41-4

• 98-08-8
• 454-90-0

Reference: [1]Journal of the American Chemical Society,1947,vol. 69,p. 946
Industrial and Engineering Chemistry,1947,vol. 39,p. 421

Upstream Synthesis Route 2

• 401-78-5
• 124-41-4

• 454-90-0

Reference: [1]Journal of the American Chemical Society,1947,vol. 69,p. 946
Industrial and Engineering Chemistry,1947,vol. 39,p. 421

Downstream Synthesis Route 1

• 2591-86-8
• 454-90-0

• 106312-36-1
• 1017778-98-1

Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 72 - 83

Downstream Synthesis Route 2

• 454-90-0

• 400-72-6

Reference: [1] Patent: US5512589, 1996, A,

Downstream Synthesis Route 3

• 454-90-0

• 400-72-6

Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 72 - 83

Downstream Synthesis Route 4

• 454-90-0

• 56723-86-5

Reference: [1]Patent: FR2247221,1975,

* For details of the synthesis route, please refer to the original source to ensure accuracy.