CAS 63799-11-1 (S)-4-Cyano-4'-(2-Methylbutyl)Biphenyl

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(S)-4-Cyano-4'-(2-Methylbutyl)Biphenyl

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Catalog Number

ACM63799111

CAS Number

63799-11-1

Product Name

(S)-4-Cyano-4'-(2-Methylbutyl)Biphenyl

Structure

Category

Liquid Crystal (LC) Materials

Synonyms

(S)-4'-(2-Methylbutyl)[1,1'-Biphenyl]-4-Carbonitrile

IUPAC Name

4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile

Molecular Weight

249.3

Molecular Formula

C18H19N

Canonical SMILES

CC[C@H](C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3/t14-/m0/s1

InChI Key

DNJQGRFZQMOYGM-AWEZNQCLSA-N

Melting Point

77 °C

Purity

98%+

Density

1.017-1.02 g/ml

Appearance

Colorless to Almost colorless clear liquid

Complexity

297

Covalently-Bonded Unit Count

EC Number

264-464-8

Exact Mass

249.15175g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00192280

Monoisotopic Mass

249.15175g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.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.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Refractive Index

1.59

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.02

XLogP3

5.4

MSDS

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