| CAS Number | 26458-04-8 |
| Catalog Number | AG002TAQ(AGN-PC-0NIRDK) |
| Chemical Name | Naphthalene, 1-(trifluoromethyl)- |
| IUPAC Name | 1-(trifluoromethyl)naphthalene |
| InChI | InChI=1S/C11H7F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChI Key | GOBHSUAEQGWYBT-UHFFFAOYSA-N |
| MDL Number | MFCD04973005 |
| Molecular Formula | C11H7F3 |
| Molecular Weight | 196.1685 |
| SMILES | FC(c1cccc2c1cccc2)(F)F |
| Synonyms | 1-(trifluoromethyl)naphthalene,
26458-04-8,
1-Trifluoromethyl-naphthalene,
Naphthalene, 1-(trifluoromethyl)-,
trifluoromethyl-naphthalene,
(trifluoromethyl)naphthalene,
1-Trifluoromethylnaphthalene,
SCHEMBL1161290,
1-(trifluoromethyl)-naphthalene,
CTK4F7928,
DTXSID90494318,
ZINC2540448,
BBL101004,
MFCD04973005,
STL554798,
1-(Trifluoromethyl)naphthalene, 95%,
AKOS005256329,
X-3977,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.172g/mol |
| Monoisotopic Mass | 196.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
9
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
UN 3082
|
Certificate of Analysis
Lot Number