N,N'-(2,5-dimethyl-1,4-phenylene)bis[3-oxobutyramide]
Basic information
- CAS
24304-50-5- Standard SMILES
CC(=O)CC(=O)Nc1cc(C)c(NC(=O)CC(C)=O)cc1C- InChIKey
NPISXGVUUHHCHZ-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.14230712
Names & identifiers
- Preferred name
- N,N'-(2,5-dimethyl-1,4-phenylene)bis[3-oxobutyramide]
- IUPAC
- N-[2,5-dimethyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
- English name
- N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)
- Molecular formula
- C16H20N2O4
- Molecular weight
- 304.34
Names & synonyms
24304-50-5n,n'-(2,5-dimethyl-1,4-phenylene)bis(3-oxobutanamide)N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)A6S8NK3HCJEINECS 246-141-3NSC-165884DTXSID90179037EC 246-141-3NSC 165884N,N'-(2,5-Dimethyl-1,4-Phenylene)Bis[3-Oxobutyramide]N,N'-(2,5-DIMETHYL-1,4-PHENYLENE)BIS(ACETOACETAMIDE)2,5-BIS(ACETOACETAMIDO)-1,4-XYLENE
Show more names
Gelbnaphthol DMBisacyl-2,5-dimethyl-p-phenylenediamine1,4-Bisacetoacetylamino-2,5-DimethylbenzeneDIACETOACET-2,5-DIMETHYL-1,4-PHENYLENEDIAMIDE1,4-Bis(3-oxobutyrylamino)-2,5-dimethylbenzeneBis(acetoacetyl)-2,5-dimethyl-p-phenylenediamineN,N'-Diacetoacetyl-2,5-dimethyl-p-phenylenediamineN,N'-(2,5-dimethyl-1,4-phenylene)bis[3-oxobutyramide
ACETOACETAMIDE, N,N'-(2,5-DIMETHYL-P-PHENYLENE)BIS-N,N'-(2,5-DIMETHYL-P-PHENYLENE)BIS(ACETOACETAMIDE)N,N'-(2,5-Dimethyl-1,4-phenylene)bis[3-oxobutanamide]RefChem:160898DTXCID20101528246-141-3N-[2,5-dimethyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamideNSC165884
Database identifiers
- CAS
24304-50-5- PubChem CID
- 90456
- DTXSID
DTXSID90179037- UNII
- A6S8NK3HCJ
- EC Number
- 246-141-3
- Nikkaji
- J28.818G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 239 · 239-241 °C
- Boiling point
- 524.8 · 524.8±50.0 °C(Predicted)
- Density
- 1.225 · 1.225
- Flash point
- 191 °C · 191°C
- storage temp.
- 2 · 2-8°C
- pka
- 10.84 · 10.84±0.46(Predicted)
- FDA UNII
- 6 S8NK3HCJ · A6S8NK3HCJ
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 99.2% (119 of 120) of all reports.
Not Classified
Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12837
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesUse as intermediate in high performance pigment. Attributes For further information please contact us Contact
UsesN,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide) is used as intermediate for the manufacture of organic pigments on the base of bisacetacetic acid Arylides. Contact
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…