| CAS Number | 21900-24-3 |
| Catalog Number | AG00CBGM(AGN-PC-00KO5G) |
| Chemical Name | 4-Chloro-3-methylbenzoyl chloride |
| IUPAC Name | 4-chloro-3-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3 |
| InChI Key | NECBSSKNQDXVKN-UHFFFAOYSA-N |
| MDL Number | MFCD11111062 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | O=C(Cl)C1=CC=C(Cl)C(C)=C1 |
| Synonyms | 4-Chloro-3-methylbenzoyl chloride,
21900-24-3,
3-methyl-4-chloro benzoylchloride,
SCHEMBL2972020,
4-chloro-3-methylbenzoylchloride,
DTXSID10516682,
3-methyl-4-chlorobenzoyl chloride,
NECBSSKNQDXVKN-UHFFFAOYSA-N,
4-chloro-3-methyl-benzoyl chloride,
MFCD11111062,
ZINC39383377,
4-chloranyl-3-methyl-benzoyl chloride,
AKOS006308730,
Benzoyl chloride, 4-chloro-3-methyl-,
CM12596,
AS-33121,
FT-0730134,
A815741,
1-chloro-4-(chloromethyl)-2-methylbenzene,
92304-76-2,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.035g/mol |
| Monoisotopic Mass | 187.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H318-H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P305+P351+P338-P405-P260-P301+P330+P331-P303+P361+P353
|
|
UN Code
|
UN 3265
|
Certificate of Analysis
Lot Number