Basic information
- CAS
128173-43-3- Standard SMILES
CC(NC(=O)CC#N)c1ccc(Cl)cc1Cl- InChIKey
OJVSVGOYUZEMQH-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2O
- Average molar mass
- 257.11 g/mol
- Monoisotopic mass
- 256.0170183
Names & identifiers
- Preferred name
- 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
- IUPAC
- 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
- English name
- 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
- Molecular formula
- C11H10Cl2N2O
- Molecular weight
- 257.12
Names & synonyms
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]acetamide128173-43-32-cyano-N-(1-(2,4-dichlorophenyl)ethyl)acetamideRefChem:470675107-667-8DFA17343AKOS000205557AKOS023027467EN300-172230G41456Z319448694Acetamide, 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-
Database identifiers
- CAS
128173-43-3- PubChem CID
- 14745809
- EC Number
- 107-667-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 468.2 · 468.2±45.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 5.14 · 5.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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