Basic information
- CAS
90418-04-5- Standard SMILES
N#CCC(=O)Nc1cccc(Cl)c1Cl- InChIKey
PAARTMNKZUCFOT-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.9857182
Names & identifiers
- Preferred name
- 2-cyano-N-(2,3-dichlorophenyl)acetamide
- IUPAC
- 2-cyano-N-(2,3-dichlorophenyl)acetamide
- English name
- 2-Cyano-N-(2,3-dichloro-phenyl)-acetamide
- Molecular formula
- C9H6Cl2N2O
- Molecular weight
- 229.06
Names & synonyms
2-cyano-N-(2,3-dichlorophenyl)acetamide90418-04-5Acetamide, 2-cyano-N-(2,3-dichlorophenyl)-MFCD03479187HMS1782M14SCHEMBL11141100DTXSID40368994ALBB-008582STK317949AKOS0001151462-Cyano-N-(23-dichlorophenyl)acetamideAS-65478
Show more names
AIDS416173AIDS-416173ZINC035299272-cyano-N-(2,3-dichlorophenyl)ethanamide2-Cyano-N-(2,3-dichloro-phenyl)-acetamide
N-(2,3-dichlorophenyl)-2-cyanoacetamideST45152527EN300-01406A12928Z56838569
Database identifiers
- CAS
90418-04-5- PubChem CID
- 2645809
- DTXSID
DTXSID40368994
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 439.3 · 439.3±45.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- -1.65 · -1.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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