4-Pentylbiphenyl

HCID 81546

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Basic information

CAS: 69856-10-6
Standard SMILES: CCCCCc1ccc(-c2ccccc2)cc1
InChIKey: IFUOTAQBVGAZPR-UHFFFAOYSA-N
Molecular formula: C17H20
Average molar mass: 224.34 g/mol
Monoisotopic mass: 224.15650064

Names & identifiers

Preferred name: 4-Pentylbiphenyl
IUPAC: 1-pentyl-4-phenylbenzene
English name: 4-N-PENTYLBIPHENYL
Molecular formula: C17H20
Molecular weight: 224.34

Names & synonyms

4-Pentylbiphenyl7116-96-34-Pentyl-1,1'-biphenyl1-pentyl-4-phenylbenzenePentylbiphenyl1,1'-Biphenyl, 4-pentyl-p-Pentylbiphenyl1,1'-Biphenyl, pentyl-Pentyl-1,1'-biphenylZTS9KSZ5HQP-AMYLBIPHENYLEINECS 230-421-7

Show more names

4-n-Amyldiphenyl4-N-AMYLBIPHENYL4-N-PENTYLBIPHENYL4-Pentylbiphenyl>4-Pentylbiphenyl 99%4-Pentylbiphenyl,99%4-n-Pentylbiphenyl,99%

69856-10-6DTXSID3064566NSC 4838EINECS 274-163-3RefChem:526258DTXCID6046923DTXSID201059400230-421-7

Database identifiers

CAS: 69856-10-6、7116-96-3
PubChem CID: 81546
DTXSID: DTXSID3064566
UNII: ZTS9KSZ5HQ
EC Number: 230-421-7、274-163-3
Nikkaji: J227.382I

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 9 · 9-11°C
Boiling point: 150 · 150-153 °C (2.5 mmHg)
Density: 0.943 g/mL · 0.943 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.57(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
Specific Gravity: 0.943 · 0.943
color: Colorless to Light yellow
BRN: 2082056 · 2082056
InChI: 1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKey: IFUOTAQBVGAZPR-UHFFFAOYSA-N
SMILES: CCCCCc1ccc(cc1)-c2ccccc2
CAS DataBase Reference: 7116 · 7116-96-3(CAS DataBase Reference)
FDA UNII: 9 KSZ5HQ · ZTS9KSZ5HQ
EPA Substance Registry System: 1 · 1,1'-Biphenyl, 4-pentyl- (7116-96-3)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H228
Precautionary statements: 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
PPE: Eyeshields, Gloves
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2902.9 · 2902.90.9000
Storage Class: 12 · 12 - Non Combustible Liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 2902.90.9000
Signal word: Danger
Symbol(GHS): GHS02,GHS07
Storage Class: 12 - Non Combustible Liquids
Hazard statements: H315-H319-H228
Precautionary statements: P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 2 items

1,1'-Biphenyl, 4-pentyl-: INACTIVE

1,1'-Biphenyl, pentyl-: INACTIVE

Applications

UsesIntermediates of Liquid Crystals

General DescriptionThe orientational relaxation and spectral diffusion of 4-pentyl-4′-thiocyanobiphenyl (5SCB) in 4-pentylbiphenyl (5B) at various temperatures was studied.