[1,1'-Biphenyl]-4-carbonitrile, 4'-(decyloxy)-

HCID 112405

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Basic information

CAS: 70247-25-5
Standard SMILES: CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey: VCYXELFOIWRYLA-UHFFFAOYSA-N
Molecular formula: C23H29NO
Average molar mass: 335.5 g/mol
Monoisotopic mass: 335.22491455

Names & identifiers

Preferred name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(decyloxy)-
IUPAC: 4-(4-decoxyphenyl)benzonitrile
English name: 4'-(decyloxy)[1,1'-biphenyl]-4-carbonitrile
Molecular formula: C23H29NO
Molecular weight: 335.48

Names & synonyms

70247-25-54-Cyano-4'-decyloxybiphenylEINECS 274-495-94'-(decyloxy)[1,1'-biphenyl]-4-carbonitrile[1,1'-Biphenyl]-4-carbonitrile, 4'-(decyloxy)-DTXSID6072057(1,1'-Biphenyl)-4-carbonitrile, 4'-(decyloxy)-4'-(Decyloxy)(1,1'-biphenyl)-4-carbonitrileRefChem:391096DTXCID8046662274-495-94'-(DECYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILE

Show more names

4-n-decyloxy-4'-cyanobiphenyl4'-Decyloxybiphenyl-4-carbonitrile4-[4-(Decyloxy)phenyl]benzonitrile

4'-Cyano-4-decyloxybiphenyl4-(4-decoxyphenyl)benzonitrile10OCB(1,1-Biphenyl)-4-carbonitrile, 4-(decyloxy)-MFCD012180344'-Decyloxy-4-biphenylcarbonitrile4-(4-decyloxyphenyl)benzenecarbonitrile4-decyloxy-4'-cyanobiphenyl

Database identifiers

CAS: 70247-25-5
PubChem CID: 112405
DTXSID: DTXSID6072057
EC Number: 274-495-9
Nikkaji: J288.900E

Properties

Computed structural properties

XLogP: 7.9
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 25
Formal charge: 0
Complexity: 369

Experimental & physicochemical properties

Chemical ClassesLiquid Crystal (LCM) Monomers

SpringerMaterials PropertiesChemical diffusion

Physicochemical properties

Boiling point: 479.6 · 479.6±38.0 °C(Predicted)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
solubility: soluble in Acetone
form: powder to crystal
color: White to Almost white
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(decyloxy)- (70247-25-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
TSCA: TSCA listed
HS Code: 2926.9 · 2926.90.4801

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2926.90.4801
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312