CAS 26227-73-6 N-(4-Methoxybenzylidene)-4-butylaniline

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N-(4-Methoxybenzylidene)-4-butylaniline

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Catalog Number

ACM26227736-1

CAS Number

26227-73-6

Product Name

N-(4-Methoxybenzylidene)-4-butylaniline

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Synonyms

N-(p-Anisal)-4-butylaniline
N-(p-Anisylidene)-4-butylaniline
MBBA

Description

Cloudy light yellow liquid. (NTP, 1992)

IUPAC Name

N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine

Molecular Weight

267.37

Molecular Formula

C18H21NO

Canonical SMILES

CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3

InChI Key

FEIWNULTQYHCDN-UHFFFAOYSA-N

Melting Point

120 °C

Flash Point

greater than 235 °F (NTP, 1992)

Purity

>98.0%(GC)(T)

Density

1.027 g/mL at 25 °C (lit.)

Solubility

soluble in Methanol

Appearance

White or Colorless to Light orange to Yellow powder to lump to clear liquid

Application

N-(4-Methoxybenzylidene)-4-butylaniline (MBBA) is majorly used in the development of liquid crystal cells.

Complexity

273

Covalently-Bonded Unit Count

EC Number

247-527-4

Exact Mass

267.162314g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00009464

MeSH Entry Terms

N-(4-methoxybenzylidene)-4-butylaniline;N-(p-methoxybenzylidene)-p-butylaniline

Monoisotopic Mass

267.162314g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.55

Rotatable Bond Count

Signal Word

Warning

UNII

S586T4JYNC;GEW7I7NN51

XLogP3

5.1

MSDS

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COA