| CAS Number | 127792-49-8 |
| Catalog Number | AG000XF5(AGN-PC-0IJ74U) |
| Chemical Name | Benzeneacetonitrile, 2-bromo-5-chloro- |
| IUPAC Name | 2-(2-bromo-5-chlorophenyl)acetonitrile |
| InChI | InChI=1S/C8H5BrClN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2 |
| InChI Key | WFOFYTGSDGUGKN-UHFFFAOYSA-N |
| MDL Number | MFCD18390586 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | N#CCC1=CC(Cl)=CC=C1Br |
| Synonyms | 127792-49-8,
2-Bromo-5-chlorophenylacetonitrile,
2-(2-bromo-5-chlorophenyl)acetonitrile,
BENZENEACETONITRILE, 2-BROMO-5-CHLORO-,
SCHEMBL6122855,
WFOFYTGSDGUGKN-UHFFFAOYSA-N,
MFCD18390586,
ZINC83593223,
AKOS023061065,
AS06073,
CM13650,
FCH1369304,
AK153170,
AS-33215,
BBV-40245411,
AJ-126020,
AX8289425,
ACN-055819,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.489g/mol |
| Monoisotopic Mass | 228.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302+H312-H315-H319-H331-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P305+P351+P338-P311
|
|
UN Code
|
UN 3439
|
Certificate of Analysis
Lot Number