4,4'-Bis(o-acetoacetotoluidide)
Basic information
- CAS
91-96-3- Standard SMILES
CC(=O)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)=O)c(C)c2)cc1C- InChIKey
CRRLDLPBQWRVGN-UHFFFAOYSA-N- Molecular formula
- C22H24N2O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.17360725
Names & identifiers
- Preferred name
- 4,4'-Bis(o-acetoacetotoluidide)
- IUPAC
- N-[2-methyl-4-[3-methyl-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
- English name
- N,N'-(3,3'-Dimethyl-4,4'-biphenyldiyl)bis(3-oxobutanamide)
- Molecular formula
- C22H24N2O4
- Molecular weight
- 380.44
Names & synonyms
91-96-3Naphtanilide GCibanaphthol AGKiwa Grounder GDaito Grounder GDiacetylacetotolidideNaphtazol JNaphthanil GNaphthoide GNaphtoelan GUltrazol GArlanthol ASG
Show more names
NSC37212NSC 37212NSC-37212Azoic C.C.5Naphthol,95%NAPTHOL AS-GNAPHTHOL AS-GNAPHTHOL AS-G 95+%
Kambothol ASGAcna Naphthol GAmarthol AS-GTulathol AS-GNaphtol AS-GSanatol AS-GHiltonaphthol AS-GMitsui Naphthozol G
Database identifiers
- CAS
91-96-3- PubChem CID
- 66686
- DTXSID
DTXSID5059034- UNII
- 1TIO7W1ORJ
- EC Number
- 202-111-1
- Nikkaji
- J22.322K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 508.07 °C · 508.07°C (rough estimate)
- Density
- 1.2285 · 1.2285 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 10.42 · 10.42±0.46(Predicted)
- Colour Index
- 37610 · 37610
- color
- White to Orange to Green
- CAS DataBase Reference
- 91 · 91-96-3(CAS DataBase Reference)
- FDA UNII
- 1 TIO7W1ORJ · 1TIO7W1ORJ
- EPA Substance Registry System
- 3 · Butanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo- (91-96-3)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317
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 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo-
REACH registered substance: N,N'-(3,3'-dimethylbiphenyl-4,4'-ylene)di(acetoacetamide) (EC: 202-111-1)
Butanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2924.29.3600
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P272-P280-P301+P310+P330-P302+P352-P333+P313-P363-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo-: INACTIVE
Applications
UsesIntermediate for the manufacture of organic pigments and dyestuffs. Attributes Contact us for further information Contact
Preparation methods
Preparation(a) 3,3′-Dimethylbenzidineand Ethyl 3-oxobutanoatecondensation;
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
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Compound notes
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