| CAS Number | 873373-34-3 |
| Catalog Number | AG019EQY(AGN-PC-0C1UNF) |
| Chemical Name | 1-(Bromomethyl)-4-(Difluoromethyl)Benzene |
| IUPAC Name | 1-(bromomethyl)-4-(difluoromethyl)benzene |
| InChI | InChI=1S/C8H7BrF2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2 |
| InChI Key | MVSMLXCLMRPXFA-UHFFFAOYSA-N |
| MDL Number | MFCD18791603 |
| Molecular Formula | C8H7BrF2 |
| Molecular Weight | 221.0420 |
| SMILES | BrCC1=CC=C(C=C1)C(F)F |
| Synonyms | 1-(bromomethyl)-4-(difluoromethyl)benzene,
873373-34-3,
4-(Difluoromethyl)benzyl bromide,
1-bromomethyl-4-difluoromethyl-benzene,
Benzene, 1-(bromomethyl)-4-(difluoromethyl)-,
AMBZ0042,
SCHEMBL3388795,
MVSMLXCLMRPXFA-UHFFFAOYSA-N,
MFCD18791603,
ZINC91304951,
AKOS017549574,
AM805846,
PS-10018,
Y3183,
C8H7BrF2,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.045g/mol |
| Monoisotopic Mass | 219.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
|
|
UN Code
|
UN 3265
|
Certificate of Analysis
Lot Number