2-chloro-N-(3,4,5-trimethoxyphenyl)acetamide
Basic information
- CAS
39901-45-6- Standard SMILES
COc1cc(NC(=O)CCl)cc(OC)c1OC- InChIKey
VSRMXUOEQLPQSY-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO4
- Average molar mass
- 259.68 g/mol
- Monoisotopic mass
- 259.0611356
Names & identifiers
- Preferred name
- 2-chloro-N-(3,4,5-trimethoxyphenyl)acetamide
- IUPAC
- 2-chloro-N-(3,4,5-trimethoxyphenyl)acetamide
- English name
- 2-Chloro-N-(3,4,5-trimethoxyphenyl)acetamide
- Molecular formula
- C11H14ClNO4
- Molecular weight
- 259.69
Names & synonyms
2-chloro-N-(3,4,5-trimethoxyphenyl)acetamide39901-45-6DTXSID00366577RefChem:259306DTXCID10317616MFCD00524910Acetamide,2-chloro-N-(3,4,5-trimethoxyphenyl)-SCHEMBL4000768CHEMBL5412824VSRMXUOEQLPQSY-UHFFFAOYSA-NALBB-002411BBL008444
Show more names
Acetamide, 2-chloro-N-(3,4,5-trimethoxyphenyl)-
STK415790AKOS000199347NCGC00660810-01BS-10291CS-0307820EN300-08074G32669Z56968817
Database identifiers
- CAS
39901-45-6- PubChem CID
- 2113306
- DTXSID
DTXSID00366577- ChEMBL
CHEMBL5412824- EC Number
- 983-164-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 410.4 · 410.4±45.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 11.38 · 11.38±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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