Products for Research Use Only
RegisterLogin

3-METHYLBENZOTRIFLUORIDE

CAT: 1266-JH288787Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1266-JH288787Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
401-79-6
UN Code
UN 1993
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C8H7F3
Molecular Weight
160.14
Product Name Synonym
1-methyl-3- (trifluoromethyl) benzene
Physical Properties
Colorless liquid
Hazardous Class
3
Safety Statements
S16-S26-S36
Density
1.14
Flash Point
25.3oC
RIDADR
UN 1993 3
Melting Point
214-217oC

Chemical Information

3-Methylbenzotrifluoride
CAS Number401-79-6
PubChem CID136246
IUPAC Name1-methyl-3-(trifluoromethyl)benzene
Molecular FormulaC8H7F3
Molecular Weight160.14
XLogP3.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity128
SMILES
CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
InChIKey
VJYXZJGDFJJDGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylbenzotrifluoride
CAS: 401-79-6
CID: 136246
Formula: C8H7F3
MW: 160.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.14
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass160.04998471
Monoisotopic Mass160.04998471
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
JH9130275-Iodo-2-methylbenzotrifluoride
JH9204053,3',3''-phosphinylidynetrisPropanoic acid
JH5645693,3'-Diaminobenzidine
JH6194383,3-DIMETHYLPIPERIDINE
JH2797353,3-dimethylcyclohexanamine
JH9194513- (3,3,3-Trifluoro-2,2-dimethylpropoxy) -1H-pyrazole
JH9143153,3,3-Trifluoropropane-1,2-diol
JH9205123,3':6',3''-Ter-9H-carbazole
JH7018823,3,3-trifluoro-2-phenylpropanoic acid
JH2813093,3,3-Trifluoro-2-methylpropanoic acid

Alternative Products

CatalogName
sc-2318523-Methylbenzotrifluoride
423868-013-Amino-5-methylbenzotrifluoride
PC520608-012-Bromo-3-methylbenzotrifluoride
PC7427-014-Bromo-3-methylbenzotrifluoride
PC3319-013-Fluoro-2-methylbenzotrifluoride
sc-3073682-Chloro-3-methylbenzotrifluoride
sc-260861A3-Carbamoyl-4-methylbenzotrifluoride
PC5205644-Fluoro-3-methylbenzotrifluoride
PC48636-013-Methoxy-5-methylbenzotrifluoride
sc-3127023-Chloro-2-methylbenzotrifluoride

Popular Products