| CAS Number | 58906-64-2 |
| Catalog Number | AG00ELS5(AGN-PC-0A94E7) |
| Chemical Name | Chlorocarbonic acid-(1-ethyl-butyl ester) |
| IUPAC Name | 2-ethylbutyl carbonochloridate |
| InChI | InChI=1S/C7H13ClO2/c1-3-6(4-2)5-10-7(8)9/h6H,3-5H2,1-2H3 |
| InChI Key | VUUZCSIOWVZJQB-UHFFFAOYSA-N |
| MDL Number | MFCD29990706 |
| Molecular Formula | C7H13ClO2 |
| Molecular Weight | 164.6299 |
| SMILES | CCC(COC(=O)Cl)CC |
| Synonyms | 58906-64-2,
Chlorocarbonic acid-(1-ethyl-butyl ester),
Carbonochloridic acid, 2-ethylbutyl ester,
2-Ethylbutyl carbonochloridate,
2-ethylbutyl chloroformate,
2-ethyl-1-butyl chloroformate,
SCHEMBL7757259,
CTK1D9829,
DTXSID10711155,
VUUZCSIOWVZJQB-UHFFFAOYSA-N,
MFCD29990706,
AKOS028110217,
ZINC167432717,
FT-0700105,
|
| Complexity | 99.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.629g/mol |
| Monoisotopic Mass | 164.06g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1(8)
|
|
Hazard statements
|
H300+H310+H330-H314-H290
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P260-P262-P280-P303+P361+P353-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233
|
|
UN Code
|
UN 3277
|
Certificate of Analysis
Lot Number