Basic information
- CAS
3598-10-5- Standard SMILES
NC(=O)COc1ccc(Cl)cc1- InChIKey
RHLHDNNWVXMDAF-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Overview
metabolite of iproclozide; structure
Names & identifiers
- Preferred name
- 4-Chlorophenoxyacetamide
- IUPAC
- 2-(4-chlorophenoxy)acetamide
- English name
- 2-(4-chlorophenoxy)acetamide
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
3598-10-5p-Chlorophenoxyacetamide4-ChlorophenoxyacetamideDTXSID70189533RefChem:912440DTXCID301120242-(4-Chlorophenoxy)acetamide2-(4-chloro-phenoxy)-acetamideMaybridge4_004352NCIOpen2_001927SCHEMBL1816835SCHEMBL4946959
Show more names
2-(4-chlorophenoxy)ethanamide
alpha-(p-Chlorophenoxy)acetamideAcetamide, 2-(4-chlorophenoxy)-HMS1533F18NSC99270MFCD00173817NSC 99270NSC-99270AKOS000299390
Database identifiers
- CAS
3598-10-5- PubChem CID
- 97091
- DTXSID
DTXSID70189533- Nikkaji
- J600.102E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 374.2 · 374.2±22.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 15.26 · 15.26±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers6 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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