Basic information
- CAS
2759-54-8- Standard SMILES
CCC(=O)Nc1ccc(Cl)cc1- InChIKey
FFHGCIYKPNISDY-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO
- Average molar mass
- 183.63 g/mol
- Monoisotopic mass
- 183.0450916
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)propanamide
- IUPAC
- N-(4-chlorophenyl)propanamide
- English name
- 4-chloropropionanilide
- Molecular formula
- C9H10ClNO
- Molecular weight
- 183.63
Names & synonyms
N-(4-Chlorophenyl)propanamide4-Chloropropionanilide2759-54-8Propanamide, N-(4-chlorophenyl)-Z99XXJ3NWGNSC-404306DTXSID40181988RefChem:506074DTXCID80104479N-(4-Chlorophenyl)propionamidep-Chloro propion anilidep-Chloropropionanilide
Show more names
NSC 404306para-ChloropropionanilideAI3-176734'-chloro-propionanilidePropionanilide, 4'-chloro-4'-CHLOROPROPIONANILIDESCHEMBL4121299SCHEMBL4588471
Database identifiers
- CAS
2759-54-8- PubChem CID
- 17692
- DTXSID
DTXSID40181988- UNII
- Z99XXJ3NWG
- EC Number
- 667-891-1
- Nikkaji
- J861.586A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 137 · 137-139 °C
- Boiling point
- 344.2 · 344.2±25.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 14.25 · 14.25±0.70(Predicted)
- FDA UNII
- 99 XXJ3NWG · Z99XXJ3NWG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…