Basic information
- CAS
87165-20-6- Standard SMILES
N#CCC(=O)Nc1cc(Cl)ccc1Cl- InChIKey
RXFUXWREALPORB-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2O
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.9857182
Names & identifiers
- Preferred name
- 2-cyano-N-(2,5-dichlorophenyl)acetamide
- IUPAC
- 2-cyano-N-(2,5-dichlorophenyl)acetamide
- English name
- 2-CYANO-N-(2,5-DICHLORO-PHENYL)-ACETAMIDE
- Molecular formula
- C9H6Cl2N2O
- Molecular weight
- 229.06
Names & synonyms
2-cyano-N-(2,5-dichlorophenyl)acetamide87165-20-6MFCD01910046Acetamide, 2-cyano-N-(2,5-dichlorophenyl)-N-(2,5-dichlorophenyl)-2-cyanoacetamideSCHEMBL11143547DTXSID80351183RXFUXWREALPORB-UHFFFAOYSA-N2',5'-dichloro-2-cyanoacetanilideALBB-008524SBB015790STK414967
Show more names
AIDS416175AIDS-416175ZINC00064954AURORA 23360OTAVA-BB BB71109503102-cyano-N-(2,5-dichlorophenyl)ethanamide2-CYANO-N-(2,5-DICHLORO-PHENYL)-ACETAMIDE
AKOS000115293LS-02932CS-0218555ST45172973EN300-01343G22643Z56824368F1711-0238
Database identifiers
- CAS
87165-20-6- PubChem CID
- 693145
- DTXSID
DTXSID80351183
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- Melting point
- 190.5 · 190.5-191.5 °C
- Boiling point
- 433.5 · 433.5±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
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
Loading…