| CAS Number | 73557-63-8 |
| Catalog Number | AG01E5PZ(AGN-PC-0JU7CW) |
| Chemical Name | Benzene, 1,2-dibromo-5-methyl-3-nitro- |
| IUPAC Name | 1,2-dibromo-5-methyl-3-nitrobenzene |
| InChI | InChI=1S/C7H5Br2NO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3 |
| InChI Key | XTMGEWKAQQAYST-UHFFFAOYSA-N |
| MDL Number | MFCD18089295 |
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 294.9281 |
| SMILES | O=[N+](C1=C(Br)C(Br)=CC(C)=C1)[O-] |
| Synonyms | 1,2-dibromo-5-methyl-3-nitrobenzene,
3,4-Dibromo-5-nitrotoluene,
73557-63-8,
benzene, 1,2-dibromo-5-methyl-3-nitro-,
AC1LD130,
ZINC32299601,
AKOS025132049,
InChI=1/C7H5Br2NO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H,
CID640612,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.93g/mol |
| Monoisotopic Mass | 292.869g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number