| CAS Number | 480439-41-6 |
| Catalog Number | AG003FRF |
| Chemical Name | 2,4-Dichloro-1-(2-isocyanatoethyl)benzene |
| IUPAC Name | 2,4-dichloro-1-(2-isocyanatoethyl)benzene |
| InChI | InChI=1S/C9H7Cl2NO/c10-8-2-1-7(9(11)5-8)3-4-12-6-13/h1-2,5H,3-4H2 |
| InChI Key | GDBPHFFZTSTTKK-UHFFFAOYSA-N |
| MDL Number | MFCD04039912 |
| Molecular Formula | C9H7Cl2NO |
| Molecular Weight | 216.0640 |
| SMILES | ClC1=CC(Cl)=C(CCN=C=O)C=C1 |
| Synonyms | 2,4-Dichlorophenethyl isocyanate,
480439-41-6,
2,4-dichloro-1-(2-isocyanatoethyl)benzene,
2,4-Dichlorophenethyl isocyanate, 97%,
ACMC-20aodi,
AC1NNO0J,
SCHEMBL1847891,
CTK4J0618,
DTXSID00407792,
ZINC2526523,
AKOS010078907,
RT-006796,
I14-48139,
CID5048475,
24-DICHLOROPHENETHYLISOCYANATE97,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.061g/mol |
| Monoisotopic Mass | 214.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301+H331-H315-H319-H334-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313
|
|
UN Code
|
UN 2206
|
Certificate of Analysis
Lot Number