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Basic information
- CAS
897-78-9- Standard SMILES
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1- InChIKey
CTKKGXDAWIAYSA-UHFFFAOYSA-N- Molecular formula
- C20H18O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.13576519
Names & identifiers
- Preferred name
- 2,6-Bis(benzylidene)cyclohexanone
- IUPAC
- 2,6-dibenzylidenecyclohexan-1-one
- English name
- 2,6-Dibenzylidenecyclohexanone
- Molecular formula
- C20H18O
- Molecular weight
- 274.36
Names & synonyms
2,6-Bis(benzylidene)cyclohexanoneRefChem:9088552,6-B(B)CH cpd2,6-dibenzalcyclohexanone2,6-Dibenzylidenecyclohexan-1-one2,6-bis(phenylmethylene)cyclohexanone2,6-bis(phenylmethylidene)cyclohexan-1-one1,3-Dibenzylidene-2-cyclohexanoneMFCD00019516Maybridge1_0063582,6-bis[(E)-phenylmethylidene]cyclohexanoneSCHEMBL977261
Show more names
RARECHEM AQ C6 00051,3-DIBENZAL-2-CYCLOHEXANONE2,6-Dibenzylidenecyclohexanone-2,6-DibenzylidenecyclohexanoneCyclohexanone, 2,6-dibenzylidene-2,6-Dibenzylidenecyclohexanone,98%1,3-Dibenzylidenecyclohexane-2-one
2,6-Di(benzylidene)cyclohexanoneDTXSID30870793AKOS028108600NCI60_001914DB-057164NS000424012,6-Bis-[1-phenyl-methylidene]-cyclohexanone
Database identifiers
- CAS
897-78-9- PubChem CID
- 95336
- DTXSID
DTXSID30870793
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 377.34 °C · 377.34°C (rough estimate)
- Density
- 1.0338 · 1.0338 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- BRN
- 656613 · 656613
- CAS DataBase Reference
- 897 · 897-78-9(CAS DataBase Reference)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273-P391-P501
- Safety Statements
- 24 · 24/25
- RIDADR
- 3077 · 3077
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29143900 · 29143900
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
- ridadr
- 3077
- hs_code
- 29143900
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 24/25
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H411
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Related reactions
11 records
Compound notes
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