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41122-70-7

Basic Information
CAS No.: 41122-70-7
Name: [1,1'-Biphenyl]-4-carbonitrile,4'-hexyl-
Molecular Structure:
Molecular Structure of 41122-70-7 ([1,1'-Biphenyl]-4-carbonitrile,4'-hexyl-)
Formula: C19H21N
Molecular Weight: 263.17
Synonyms: 4-Cyano-4'-hexyl-1,1'-biphenyl;4-Cyano-4'-hexylbiphenyl;4-Hexyl-4'-cyanobiphenyl;4-n-Hexyl-4'-cyanobiphenyl;4'-Hexyl[1,1'-biphenyl]-4-carbonitrile;4'-n-Hexyl-4-cyanobiphenyl;K 18;p-Hexyl-p'-cyanobiphenyl;
EINECS: 255-228-5
Density: 1.022 g/cm3
Melting Point: 30.5℃ (polymorph)
Boiling Point: 407.696 °C at 760 mmHg
Flash Point: 201.656 °C
Solubility: Sparingly Soluble in water (3.2E-5 g/L) (25°C).
Appearance:
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39
Transport Information:
PSA: 23.79000
LogP: 5.34808
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  • 4'-HEXYL-4-BIPHENYLCARBONITRILE

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Chemistry

 The Molecular Structure of (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl- (CAS NO.41122-70-7):

Molecular Formula: C19H21N
Molecular Weight: 263.376740 g/mol |
IUPAC: 4-(4-hexylphenyl)benzonitrile
Product Categories: Liquid Crystals;Nematic;Organic Electronics and Photonics
Appearance: Milky-white thick liquid
Solubility: Insoluble in water
Nominal Mass: 263 Da
Average Mass: 263.3767 Da
Monoisotopic Mass: 263.1674 Da 
InChI
InChI=1/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
Smiles
c1(c2ccc(C#N)cc2)ccc(CCCCCC)cc1

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:  26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3

Specification

 (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl- (CAS NO.41122-70-7) is also called as  4'-Hexylbiphenyl-4-carbonitrile ; 4-Cyano-4'-hexylbiphenyl ; 4-Hexyl-4'-cyanobiphenyl ; CCRIS 6044 ; EINECS 255-228-5 ; 4'-Hexyl(1,1'-biphenyl)-4-carbonitrile .