| CAS Number | 820209-45-8 |
| Catalog Number | AG005E5C(AGN-PC-005BID) |
| Chemical Name | Benzenamine,N-ethyl-4-(trifluoromethyl)- |
| IUPAC Name | N-ethyl-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C9H10F3N/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6,13H,2H2,1H3 |
| InChI Key | ZFVSSAGTWMDGJX-UHFFFAOYSA-N |
| MDL Number | MFCD07787005 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | CCNC1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | N-ethyl-4-(trifluoromethyl)aniline,
820209-45-8,
Benzenamine,N-ethyl-4-(trifluoromethyl)-,
ETHYL-(4-TRIFLUOROMETHYL-PHENYL)-AMINE,
SCHEMBL1797711,
CTK5E9320,
DTXSID70460132,
MFCD07787005,
ZINC19909905,
4-(trifluoromethyl)-N,N-ethylaniline,
AKOS000234002,
SC-59575,
Benzenamine, N-ethyl-4-(trifluoromethyl)-,
CID11252470,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H312-H315-H318-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number