| CAS Number | 93841-19-1 |
| Catalog Number | AG005ZWN(AGN-PC-0KNZQD) |
| Chemical Name | 2,4-Dimethylbenzotrifluoride |
| EC Number | 298-989-9 |
| IUPAC Name | 2,4-dimethyl-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3/c1-6-3-4-8(7(2)5-6)9(10,11)12/h3-5H,1-2H3 |
| InChI Key | MMNSBYZZXGPGEK-UHFFFAOYSA-N |
| MDL Number | MFCD14525505 |
| Molecular Formula | C9H9F3 |
| Molecular Weight | 174.1630 |
| SMILES | C1(C)=CC(C)=CC=C1C(F)(F)F |
| Synonyms | 93841-19-1,
2,4-Dimethyl-1-(trifluoromethyl)benzene,
2,4-Dimethylbenzotrifluoride,
EINECS 298-989-9,
2,4-Dimethylbenzotrilfuoride,
AC1MIDGS,
4-(Trifluoromethyl)-m-xylene,
SCHEMBL144686,
CTK5H3413,
DTXSID10239763,
3751AF,
ZINC67800060,
AKOS005258043,
FT-0686364,
C9H9F3,
C9-H9-F3,
CID3022605,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.166g/mol |
| Monoisotopic Mass | 174.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number