3-Methylbenzotrifluoride

• Catalog Number: ACM401796
• Product Name: 3-Methylbenzotrifluoride
• CAS: 401-79-6
• Category: Aryl
• Synonyms: 3-Methylbenzotrifluoride, 470384_ALDRICH, 1-methyl-3-(trifluoromethyl)benzene, alpha,alpha,alpha-Trifluoro-m-xylene, Benzene, 1-methyl-3-(trifluoromethyl)-, ST5407097, TL8002907, m-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-, 401-79-6
• IUPAC Name: 1-methyl-3-(trifluoromethyl)benzene
• Molecular Weight: 160.14
• Molecular Formula: C8H7F3
• Canonical SMILES: CC1=CC(=CC=C1)C(F)(F)F
• InChI Key: VJYXZJGDFJJDGF-UHFFFAOYSA-N
• Boiling Point: 130ºC
• Flash Point: 25.3ºC
• Density: 1.14
• Exact Mass: 160.05000
• Hazard Statements: H314-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: UN 3082 9 / PGIII
• Safety Description: S16-S26-S36
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Methylbenzotrifluoride?

The molecular formula of 3-Methylbenzotrifluoride is C8H7F3.

What are the synonyms of 3-Methylbenzotrifluoride?

The synonyms of 3-Methylbenzotrifluoride are 1-methyl-3-(trifluoromethyl)benzene, 3-Trifluoromethyltoluene, and Benzene, 1-methyl-3-(trifluoromethyl)-.

What is the molecular weight of 3-Methylbenzotrifluoride?

The molecular weight of 3-Methylbenzotrifluoride is 160.14 g/mol.

What is the IUPAC name of 3-Methylbenzotrifluoride?

The IUPAC name of 3-Methylbenzotrifluoride is 1-methyl-3-(trifluoromethyl)benzene.

What is the InChI of 3-Methylbenzotrifluoride?

The InChI of 3-Methylbenzotrifluoride is InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3.

What is the InChIKey of 3-Methylbenzotrifluoride?

The InChIKey of 3-Methylbenzotrifluoride is VJYXZJGDFJJDGF-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methylbenzotrifluoride?

The canonical SMILES of 3-Methylbenzotrifluoride is CC1=CC(=CC=C1)C(F)(F)F.

What is the CAS number of 3-Methylbenzotrifluoride?

The CAS number of 3-Methylbenzotrifluoride is 401-79-6.

What is the European Community (EC) number of 3-Methylbenzotrifluoride?

The European Community (EC) number of 3-Methylbenzotrifluoride is 626-022-6.

What is the XLogP3 value of 3-Methylbenzotrifluoride?

The XLogP3 value of 3-Methylbenzotrifluoride is 3.3.