Basic information
- CAS
202652-64-0- Standard SMILES
C=CCCc1ccc(C#Cc2ccc(CCC=C)cc2)cc1- InChIKey
DOTOVEIVWNKSJT-UHFFFAOYSA-N- Molecular formula
- C22H22
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.1721507
Overview
See also: Bis[4-(3-butenyl)phenyl]acetylene (annotation moved to).
Names & identifiers
- Preferred name
- 1,2-Bis(4-(but-3-en-1-yl)phenyl)ethyne
- IUPAC
- 1-but-3-enyl-4-[2-(4-but-3-enylphenyl)ethynyl]benzene
- English name
- Benzene, 1,1'-(1,2-ethynediyl)bis[4-(3-buten-1-yl) ]-
- Molecular formula
- C22H22
- Molecular weight
- 286.41
Names & synonyms
202652-64-01,2-Bis(4-(but-3-en-1-yl)phenyl)ethyneBenzene, 1,1'-(1,2-ethynediyl)bis[4-(3-buten-1-yl)-1-but-3-enyl-4-[2-(4-but-3-enylphenyl)ethynyl]benzenebBePaDibutylene DiphenylacetyleneBenzene, 1,1'-(1,2-ethynediyl)bis[4-(3-butenyl)-SCHEMBL29637029DTXSID60431513DOTOVEIVWNKSJT-UHFFFAOYSA-NMFCD346017651,2-bis(4-(but-3-enyl)phenyl)ethyne
Show more names
BS-487511,2-Bis[4-(3-buten-1-yl)phenyl]ethyneDB-161849E83838F862110benzene,1,1'-(1,2-ethynediyl)bis[4-(3-buten-1-yl)1,1'-(Ethyne-1,2-diyl)bis[4-(but-3-en-1-yl)benzene]Benzene, 1,1'-(1,2-ethynediyl)bis[4-(3-buten-1-yl) ]-
Database identifiers
- CAS
202652-64-0- PubChem CID
- 9835554
- DTXSID
DTXSID60431513- Nikkaji
- J1.324.343C
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- 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
Suppliers22 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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京云基科技有限公司(+86)13146479469
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
烟台丰蓬液晶材料有限公司18754503080 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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