| CAS Number | 815-52-1 |
| Catalog Number | AG00528J(AGN-PC-05CW3V) |
| Chemical Name | 3-Pentanone, 2-bromo- |
| IUPAC Name | 2-bromopentan-3-one |
| InChI | InChI=1S/C5H9BrO/c1-3-5(7)4(2)6/h4H,3H2,1-2H3 |
| InChI Key | VUDTYIUNUSPULX-UHFFFAOYSA-N |
| MDL Number | MFCD11036312 |
| Molecular Formula | C5H9BrO |
| Molecular Weight | 165.0284 |
| SMILES | CC(Br)C(CC)=O |
| Synonyms | 2-bromopentan-3-one,
2-Bromo-3-pentanone,
815-52-1,
3-Pentanone, 2-bromo-,
VUDTYIUNUSPULX-UHFFFAOYSA-N,
.alpha.-Bromodiethyl ketone,
AC1LBZAX,
2-Bromo-pentan-3-one,
AC1Q2RLR,
SCHEMBL1500268,
Ethyl .alpha.-bromoethyl ketone,
CTK3E6330,
DTXSID60337844,
MFCD11036312,
AKOS000210947,
NE55750,
SC-52663,
B4648,
EN300-50350,
CID545092,
|
| Complexity | 70.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.03g/mol |
| Monoisotopic Mass | 163.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H226-H315-H319
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number