Basic information
- CAS
1149373-93-2- Standard SMILES
CCCCCc1cc(F)c(C#Cc2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1- InChIKey
YJTVTGHPLYVLAX-UHFFFAOYSA-N- Molecular formula
- C28H28F2
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.21590722
Names & identifiers
- Preferred name
- 4-[2-(2,6-Difluoro-4-pentylphenyl)ethynyl]-4'-propyl-1,1'-biphenyl
- IUPAC
- 1,3-difluoro-5-pentyl-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene
- English name
- 4-[2-(2,6-Difluoro-4-pentylphenyl)ethynyl]-4'-propyl-1,1'-biphenyl
- Molecular formula
- C28H28F2
- Molecular weight
- 402.52
Names & synonyms
1149373-93-24-[2-(2,6-Difluoro-4-pentylphenyl)ethynyl]-4'-propyl-1,1'-biphenyl1,1'-Biphenyl, 4-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-4'-propyl-1,3-difluoro-5-pentyl-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene3B5dFPaSCHEMBL8755397DTXSID201353923MFCD34596625BS-47462F71380F8641724-[(2,6-Difluoro-4-pentylphenyl)ethynyl]-4'-propylbiphenyl
Show more names
4-pentyl-2,6-difluoro-4 '- (4-propylphenyl) - Diphenylacetylene1,1'-Biphenyl,4-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-4'-propyl-
4-((2,6-Difluoro-4-pentylphenyl)ethynyl)-4'-propyl-1,1'-biphenyl
Database identifiers
- CAS
1149373-93-2- PubChem CID
- 67683080
- DTXSID
DTXSID201353923
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 529
Experimental & physicochemical properties
Chemical Classes
Liquid Crystal (LCM) Monomers
Fluorinated Liquid Crystal Monomers (LCM)
Physicochemical properties
- Boiling point
- 496.5 · 496.5±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413
- Precautionary statements
- 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H413
- Precautionary statements
- P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
北京八亿时空液晶科技股份有限公司0086-18600516188 18600516188 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
北京云基科技股份有限公司010-56928928 18510282553 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
湖北沛恩生物科技有限公司13127581762 13127581762 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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