Basic information
- CAS
518349-89-8- Standard SMILES
COc1cc(C=O)ccc1OC(NC(=O)CC(C)C)C(Cl)(Cl)Cl- InChIKey
GCQNIYMWEXRMGA-UHFFFAOYSA-N- Molecular formula
- C15H18Cl3NO4
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.030141
Names & identifiers
- Preferred name
- 3-Methyl-N-(2,2,2-trichloro-1-(4-formyl-2-methoxyphenoxy)ethyl)butanamide
- IUPAC
- 3-methyl-N-[2,2,2-trichloro-1-(4-formyl-2-methoxyphenoxy)ethyl]butanamide
- English name
- SALOR-INT L469858-1EA
- Molecular formula
- C15H18Cl3NO4
- Molecular weight
- 382.67
Names & synonyms
3-methyl-N-[2,2,2-trichloro-1-(4-formyl-2-methoxyphenoxy)ethyl]butanamide3-Methyl-N-(2,2,2-trichloro-1-(4-formyl-2-methoxyphenoxy)ethyl)butanamideRefChem:504094518349-89-8655-795-2STK701550AKOS002162978AKOS016288825SALOR-INT L469858-1EAButanamide, 3-methyl-N-[2,2,2-trichloro-1-(4-formyl-2-methoxyphenoxy)ethyl]-
Database identifiers
- CAS
518349-89-8- PubChem CID
- 3829596
- EC Number
- 655-795-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 516.7 · 516.7±50.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 13.01 · 13.01±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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