Basic information
- CAS
51932-77-5- Standard SMILES
CCC1=C(c2ccccc2)C(c2ccccc2)=C(CC)C1=O- InChIKey
MTZCOHPDBKHNON-UHFFFAOYSA-N- Molecular formula
- C21H20O
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.15141526
Names & identifiers
- Preferred name
- 2,5-Diethyl-3,4-diphenylcyclopenta-2,4-dien-1-one
- IUPAC
- 2,5-diethyl-3,4-diphenylcyclopenta-2,4-dien-1-one
- English name
- 2,5-Diethyl-3,4-diphenylcyclopentadienone
- Molecular formula
- C21H20O
- Molecular weight
- 288.38
Names & synonyms
51932-77-52,5-Diethyl-3,4-diphenylcyclopenta-2,4-dien-1-oneEINECS 257-523-4DTXSID30199890RefChem:444370DTXCID90122381257-523-42,5-Diethyl-3,4-diphenylcyclopentadienone2,5-Diethyl-3,4-diphenylcyclopenta-2,4-dienoneMFCD00013748SCHEMBL9695558SBB057857
Show more names
LABOTEST-BB LT004539592-(1-cyclohexenyl)butanoic acid ethyl ester2,5-Diethyl-3,4-diphenyl-2,4-cyclopentadien-1-one
AKOS024318922DB-0200652,5-Diethyl-3,4-diphenyl cyclopentadienoneNS00032378ST504078102,5-diethyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one2,4-Cyclopentadien-1-one, 2,5-diethyl-3,4-diphenyl-2,5-DIETHYL-3,4-DIPHENYL-CYCLOPENTA-2,4-DIENONE
Database identifiers
- CAS
51932-77-5- PubChem CID
- 104017
- DTXSID
DTXSID30199890- EC Number
- 257-523-4
- Nikkaji
- J294.949K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 102 · 102-103°C
- BRN
- 2335095 · 2335095
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 22-24/25
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers11 total
上海仲因实业有限公司2537653158 16621191650 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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