Basic information
- CAS
25650-13-9- Standard SMILES
O=C(C=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
OXUZAAMYHTYRBZ-UHFFFAOYSA-N- Molecular formula
- C16H10F2O2
- Average molar mass
- 272.24 g/mol
- Monoisotopic mass
- 272.06488588
Names & identifiers
- Preferred name
- 1,4-Bis(4-fluorophenyl)but-2-ene-1,4-dione
- IUPAC
- 1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione
- English name
- trans-1,2-Bis(4-fluorobenzoyl)ethylene
- Molecular formula
- C16H10F2O2
- Molecular weight
- 272.25
Names & synonyms
1,4-bis(4-fluorophenyl)but-2-ene-1,4-dione25650-13-9DTXSID50334286RefChem:220189DTXCID60285376(2E)-1,4-Bis(4-fluorophenyl)-2-butene-1,4-dionedi-(p-fluorobenzoyl)ethyleneSCHEMBL6989990OXUZAAMYHTYRBZ-UHFFFAOYSA-Ntrans-1,2-Bis(4-fluorobenzoyl)ethylene1,4-Bis(4-fluorophenyl)-2-butene-1,4-dione2-Butene-1,4-dione, 1,4-bis(4-fluorophenyl)-
Database identifiers
- CAS
25650-13-9- PubChem CID
- 520221
- DTXSID
DTXSID50334286- EC Number
- 681-764-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 161 · 161-163°C
- Boiling point
- 389.7 · 389.7±42.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- BRN
- 1979161 · 1979161
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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