| CAS Number | 86256-24-8 |
| Catalog Number | AG003H9V(AGN-PC-0WAOAX) |
| Chemical Name | 2-Fluoro-5-(trifluoromethoxy)benzyl bromide |
| IUPAC Name | 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H5BrF4O/c9-4-5-3-6(1-2-7(5)10)14-8(11,12)13/h1-3H,4H2 |
| InChI Key | KOISGBFWQAPLFE-UHFFFAOYSA-N |
| MDL Number | MFCD04115890 |
| Molecular Formula | C8H5BrF4O |
| Molecular Weight | 273.0223 |
| SMILES | FC1=C(CBr)C=C(OC(F)(F)F)C=C1 |
| Synonyms | 2-Fluoro-5-(trifluoromethoxy)benzyl bromide,
86256-24-8,
2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene,
MFCD04115890,
AC1MD4A2,
SCHEMBL10978751,
CTK5F6411,
DTXSID30382583,
KOISGBFWQAPLFE-UHFFFAOYSA-N,
JRD-1405,
ZINC2527813,
ZX-AP010811,
PC1095,
AKOS015956881,
FCH1322367,
PS-9910,
1-(Bromomethyl)-2-fluoro-5-(trifluoromethoxy)benzene,
2-Fluoro-5-(trifluoromethoxy)benzyl bromide, AldrichCPR,
CID2783326,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.025g/mol |
| Monoisotopic Mass | 271.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P264-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501
|
|
UN Code
|
UN 3265
|
Certificate of Analysis
Lot Number