Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-
Basic information
- CAS
36405-17-1- Standard SMILES
CCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1- InChIKey
JWLPZJPDDBBWQD-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.1419132
Overview
See also: 4-[[(4-Butoxybenzylidene]amino]benzonitrile (annotation moved to).
Names & identifiers
- Preferred name
- Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-
- IUPAC
- 4-[(4-butoxyphenyl)methylideneamino]benzonitrile
- English name
- 4'-n-Butoxybenzylidene-4-cyanoaniline
- Molecular formula
- C18H18N2O
- Molecular weight
- 278.35
Names & synonyms
Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-4-((4-Butoxybenzylidene)amino)benzonitrileEINECS 253-018-8N-(p-Butoxybenzylidene)-p-aminobenzonitrileDTXSID0067975Benzonitrile, 4-(((4-butoxyphenyl)methylene)amino)-4-[(4-Butoxybenzylidene)amino]benzonitrileRefChem:566215DTXCID703917136405-17-14'-Butoxybenzylidene-4-cyanoaniline4'-n-butoxybenzylidene-4-cyanoaniline
Show more names
TIMTEC-BB SBB007780N-(p-Butoxybenzylidene)-p-cyanoanilineN-(4-Butoxybenzylidene)-4-cyanoaniline4'-Butoxybenzylidene-4-cyanoaniline >N-(p-Buthoxybenzylidene)-p'-cyanoaniline4'-N-BUTOXYBENZYLIDENE-4-AMINOBENZONITRILE4''-N-BUTOXYBENZYLIDENE-4-CYANOANILINE 98+%
4-N-BUTOXYBENZYLIDENE-4-CYANOANILINE4-[(4-butoxyphenyl)methylideneamino]benzonitrileMFCD000637424-{[(E)-(4-butoxyphenyl)methylidene]amino}benzonitrile(E)-4-((4-Butoxybenzylidene)amino)benzonitrile102428-33-1CPi4OP4-(4-Butoxybenzylideneamino)benzonitrile
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 451.7 · 451.7±30.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.50(Predicted)
- form
- powder to crystal
- color
- White to Yellow
- EPA Substance Registry System
- 4 · Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]- (36405-17-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- TSCA
- TSCA listed
- HS Code
- 2926.9 · 2926.90.4801
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
- tsca
- TSCA listed
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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