Basic information
- CAS
742094-70-8- Standard SMILES
Cc1c(C#N)sc(NC(=O)CCl)c1C#N- InChIKey
YJFWQWAWGIMLCU-UHFFFAOYSA-N- Molecular formula
- C9H6ClN3OS
- Average molar mass
- 239.68 g/mol
- Monoisotopic mass
- 238.9920107
Names & identifiers
- Preferred name
- 2-chloro-N-(3,5-dicyano-4-methylthiophen-2-yl)acetamide
- IUPAC
- 2-chloro-N-(3,5-dicyano-4-methylthiophen-2-yl)acetamide
Names & synonyms
2-chloro-N-(3,5-dicyano-4-methylthiophen-2-yl)acetamide742094-70-8RefChem:470074976-074-12-chloro-N-(3,5-dicyano-4-methylthien-2-yl)acetamideSBB078119AKOS005137431CS-0221307EN300-08831G38573SR-01000050000SR-01000050000-1
Show more names
Z559288952-chloro-N-(3,5-dicyano-4-methyl-2-thienyl)acetamideN-(3,5-dicyano-4-methyl(2-thienyl))-2-chloroacetamide
Database identifiers
- CAS
742094-70-8- PubChem CID
- 2427273
- EC Number
- 976-074-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 355
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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