N-[4-(2-chloropropanoyl)phenyl]acetamide
Basic information
- CAS
81112-08-5- Standard SMILES
CC(=O)Nc1ccc(C(=O)C(C)Cl)cc1- InChIKey
FWBXOIYYUSIMST-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- N-[4-(2-chloropropanoyl)phenyl]acetamide
- IUPAC
- N-[4-(2-chloropropanoyl)phenyl]acetamide
- English name
- N-[4-(2-Chloropropanoyl)phenyl]acetamide
- Molecular formula
- C11H12ClNO2
- Molecular weight
- 225.67
Names & synonyms
N-[4-(2-chloropropanoyl)phenyl]acetamideN-(4-(2-Chloropropanoyl)phenyl)acetamideDTXSID90314229RefChem:828817DTXCID40265353960-628-481112-08-5MFCD06364488Acetamide, N-[4-(2-chloro-1-oxopropyl)phenyl]-NSC281614N-[4-(2-chloro-1-oxopropyl)phenyl]acetamideSCHEMBL4051682
Show more names
FWBXOIYYUSIMST-UHFFFAOYSA-NGDA11208AKOS000200726AKOS016354292DS-8627NSC 281614NSC-281614SB80414
Database identifiers
- CAS
81112-08-5- PubChem CID
- 322933
- DTXSID
DTXSID90314229- EC Number
- 960-628-4
- Nikkaji
- J2.867.019B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 119 · 119-120 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 429.9 · 429.9±25.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.47 · 14.47±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P310-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, 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-H332-H335
- Precautionary statements
- P280-P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
Loading…