Basic information
- CAS
4441-01-4- Standard SMILES
O=C(CC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1- InChIKey
UDJIUKWJBHQMBG-UHFFFAOYSA-N- Molecular formula
- C22H18O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13067981
Names & identifiers
- Preferred name
- 1,4-Butanedione, 1,2,4-triphenyl-
- IUPAC
- 1,2,4-triphenylbutane-1,4-dione
- English name
- 1,2,4-Triphenyl-1,4-butanedione
- Molecular formula
- C22H18O2
- Molecular weight
- 314.38
Names & synonyms
1,2,4-Triphenyl-1,4-butanedione4441-01-41,4-Butanedione, 1,2,4-triphenyl-DTXSID30884072NSC 7759AI3-17642RefChem:73164DTXCID901023543UDJIUKWJBHQMBG-UHFFFAOYSA-N1,2,4-triphenylbutane-1,4-dioneMLS002638027MFCD00043773
Show more names
TIMTEC-BB SBB0083721,2,4-triphenyl-4-butanedione1,2,4-TRIPHENYLBUTAN-1,4-DIONE
NSC7759Desyl-p-acetophenon1, 1,2,4-triphenyl-SCHEMBL6201780CHEMBL1708985HMS3093K16NSC-7759ICCB6_000113
Database identifiers
- CAS
4441-01-4- PubChem CID
- 95413
- DTXSID
DTXSID30884072- ChEMBL
CHEMBL1708985- Nikkaji
- J275.880F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 126 · 126-127°C
- Boiling point
- 200 · 200-215 °C(Press: 0.3 Torr)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- BRN
- 2056791 · 2056791
- EPA Substance Registry System
- 1 · 1,4-Butanedione, 1,2,4-triphenyl- (4441-01-4)
- Safety Statements
- 22 · 22-24/25
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Butanedione, 1,2,4-triphenyl-: INACTIVE
Suppliers8 total
南京世洲生物科技有限公司025-85560043 15850508050 · [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]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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