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

HCID 104173
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Basic information

CAS
52364-73-5
Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
GPGGNNIMKOVSAG-UHFFFAOYSA-N
Molecular formula
C21H25NO
Average molar mass
307.4 g/mol
Monoisotopic mass
307.19361442

Names & identifiers

Preferred name
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
IUPAC
4-(4-octoxyphenyl)benzonitrile
English name
4'-(Octyloxy)-4-biphenylcarbonitrile
Molecular formula
C21H25NO
Molecular weight
307.43

Names & synonyms

52364-73-5[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-M 24 (liquid crystal)4-Cyano-4'-octoxybiphenyl4-(4-Octyloxyphenyl)benzonitrile4-OctyloxycyanodiphenylEINECS 257-878-5BRN 22183414'-(Octyloxy)-4-cyanobiphenyl4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitrile4'-(Octyloxy)-(1,1'-biphenyl)-4-carbonitrile4'-(octyloxy)-[1,1'-biphenyl]-4-carbonitrile
Show more names
8OCBM-24RO-CM-5324m24(liquidcrystal)OCTYLOXYCYANOBIPHENYLOctoxybiphenylnitrile4-cyano-4-octylophenyl4-octoxy-4'-cyanobiphenyl4-Cyano-4’-octoxybiphenyl
(1,1'-Biphenyl)-4-carbonitrile, 4'-(octyloxy)-DTXSID90687484'-(Octyloxy)(1,1'-biphenyl)-4-carbonitrileRefChem:391098DTXCID6041183257-878-54'-(Octyloxy)-4-biphenylcarbonitrile4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile

Database identifiers

CAS
52364-73-5
PubChem CID
104173
DTXSID
DTXSID9068748
UNII
DS9F86ARY6
EC Number
257-878-5
Nikkaji
J21.997E

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
23

Experimental & physicochemical properties

Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion

Physicochemical properties

Melting point
51 · 51-77 °C (lit.)
Boiling point
447.93 °C · 447.93°C (rough estimate)
Density
1.0505 · 1.0505 (rough estimate)
refractive index
1.5614 · 1.5614 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
DV1764500
hs_code
29269090
risk_code
20/21/22-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-: ACTIVE
Applications · 3 items

Uses8CB may be used in the preparation of asymmetrical zinc phthalocyanine (aZnPc)-functional photocurable copolymer.

UsesIntermediates of Liquid Crystals

General Description4′-octyl-4- biphenylcarbonitrile (8CB) is a low molar mass liquid crystal (LCs), which shows different liquid crystalline phases depending on temperature conditions. Under normal temperature conditions 8CB exists only as bulk smectic-A phase. LCs are responsive to minor changes in temperature, shear, electric (or magnetic) fields, and the structure of solid surfaces with which they are in contact.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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