| CAS Number | 946681-88-5 |
| Catalog Number | AG003MIX(AGN-PC-0W4B0T) |
| Chemical Name | 5-Bromo-4,6-difluoropyrimidine |
| IUPAC Name | 5-bromo-4,6-difluoropyrimidine |
| InChI | InChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H |
| InChI Key | XIBSHDQUWTUSAI-UHFFFAOYSA-N |
| MDL Number | MFCD08686978 |
| Molecular Formula | C4HBrF2N2 |
| Molecular Weight | 194.9649 |
| SMILES | FC1=C(Br)C(F)=NC=N1 |
| Synonyms | 5-Bromo-4,6-difluoropyrimidine,
946681-88-5,
ACMC-20am5h,
CTK5H6944,
DTXSID00649857,
SBB091816,
ZINC14628950,
AKOS005254926,
QC-7180,
RP03988,
RTR-045722,
DB-079998,
TR-045722,
CS-0091407,
FT-0756369,
Y4815,
X-4267,
J-517062,
I14-91404,
C4HBrF2N2,
|
| Complexity | 92.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.967g/mol |
| Monoisotopic Mass | 193.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number