(p-Methoxybenzylidene)-p-butylaniline
Basic information
- CAS
221128-17-2- Standard SMILES
CCCCc1ccc(N=Cc2ccc(OC)cc2)cc1- InChIKey
FEIWNULTQYHCDN-UHFFFAOYSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Overview
Cloudy light yellow liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- (p-Methoxybenzylidene)-p-butylaniline
- IUPAC
- N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine
- English name
- MBBA
- Molecular formula
- C18H21NO
- Molecular weight
- 267.37
Names & synonyms
26227-73-6RefChem:196562(p-methoxybenzylidene)-p-butylanilineMBBAN-(4-Methoxybenzylidene)-4-butylanilineN-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine4-BUTYL-N-(4-METHOXYBENZYLIDENE)ANILINEMBPAtrans-MbbaN-(p-Methoxybenzylidene)-p-butylaniline97402-82-9DL 1047 N
Show more names
dl1047nSODIUMBROMEBRATETIMTEC-BB SBB008193LABOTEST-BB LT00451793N-(P-ANISAL)-4-BUTYLANILINEP-ANISYLIDENE-P-BUTYLANILINEN-anisylidene-p-butylanilinep-methoxybenzal-p-butylaniline
cis-Mbba(E)-N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimineBenzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-S586T4JYNC4-Methoxybenzilidine-4'-N-butylaniline4-Methoxybenzylidene-4'-n-butylanilinep-Methoxybenzylidene p-ButylanilineUNII-GEW7I7NN51
Database identifiers
- CAS
221128-17-2、26227-73-6、97402-82-9- PubChem CID
- 33363
- DTXSID
DTXSID8025549- UNII
- GEW7I7NN51、S586T4JYNC
- EC Number
- 247-527-4
- Nikkaji
- J2.139.315K、J60.278G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Density1.027 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Melting Point70 °F (Turbid) (NTP, 1992)
Physical DescriptionCloudy light yellow liquid. (NTP, 1992)
Physicochemical properties
- Melting point
- 21.1 °C · 21.1°C
- Boiling point
- 410.55 °C · 410.55°C (rough estimate)
- Density
- 1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
- refractive index
- 1.5486 · 1.5486-1.5506
- Flash point
- 113 °C · 113 °C
- storage temp.
- Refrigerator
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsThis chemical is combustible. (NTP, 1992)
Reactive GroupAmines, Aromatic
Reactivity Profile
4-METHOXYBENZYLIDINE-4'-N-BUTYLANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-: ACTIVE
Applications
UsesN-(4-Methoxybenzylidene)-4-butylaniline (MBBA) is a nematic liquid crystal molecule that can be prepared by condensing distilled n-butylaniline and methoxybenzaldehyde. It can be used as an anisotropic solvent which has an isotropic transition temperature of 315k. It is majorly used in the development of liquid crystal cells.
General DescriptionCloudy light yellow liquid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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