3-Trifluoromethylbenzylcyanide

• Catalog Number: ACM2338763
• Product Name: 3-Trifluoromethylbenzylcyanide
• CAS: 2338-76-3
• Category: Heterocyclic Organic Compound
• Synonyms: (alpha,alpha,alpha-trifluoro-m-tolyl)-acetonitril;(alpha,alpha,alpha-Trifluoro-m-tolyl)acetonitrile;3-(trifluoromethyl)-benzeneacetonitril;3-(Trifluoromethyl)benzeneacetonitrile;3-Trifluormethylbenzylcyanide;Acetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)-;2-[3-(TRIFLUOROMETHYL)PHENYL]ACETONITRILE;1-(3-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE
• Molecular Weight: 185.15
• Molecular Formula: C₉H₆F₃N
• Boiling Point: 92-93°C4mm Hg(lit.)
• Flash Point: 120°F
• Density: 1.187g/mL at 25°C(lit.)
• Hazard Statements: Xn,Xi
• Safety Description: 16-26-27-36/37/39
• Supplemental Hazard Statements: H226-H302+H312+H332-H315-H319-H335-H302-H312-H331
• Symbol: GHS02,GHS07,GHS06

Custom Q&A

What is the molecular formula of 3-Trifluoromethylbenzylcyanide?

The molecular formula of 3-Trifluoromethylbenzylcyanide is C9H6F3N.

What is the molecular weight of 3-Trifluoromethylbenzylcyanide?

The molecular weight of 3-Trifluoromethylbenzylcyanide is 185.15 g/mol.

What is the IUPAC name of 3-Trifluoromethylbenzylcyanide?

The IUPAC name of 3-Trifluoromethylbenzylcyanide is 2-[3-(trifluoromethyl)phenyl]acetonitrile.

What is the InChIKey of 3-Trifluoromethylbenzylcyanide?

The InChIKey of 3-Trifluoromethylbenzylcyanide is JOIYKSLWXLFGGR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Trifluoromethylbenzylcyanide?

The canonical SMILES of 3-Trifluoromethylbenzylcyanide is C1=CC(=CC(=C1)C(F)(F)F)CC#N.

what is the XLogP3 value of 3-Trifluoromethylbenzylcyanide?

The XLogP3 value of 3-Trifluoromethylbenzylcyanide is 2.8.

What is the hydrogen bond donor count of 3-Trifluoromethylbenzylcyanide?

The hydrogen bond donor count of 3-Trifluoromethylbenzylcyanide is 0.

What is the hydrogen bond acceptor count of 3-Trifluoromethylbenzylcyanide?

The hydrogen bond acceptor count of 3-Trifluoromethylbenzylcyanide is 4.

How many rotatable bonds does 3-Trifluoromethylbenzylcyanide have?

3-Trifluoromethylbenzylcyanide has 1 rotatable bond.

What is the topological polar surface area of 3-Trifluoromethylbenzylcyanide?

The topological polar surface area of 3-Trifluoromethylbenzylcyanide is 23.8 ?2.