Basic information
- CAS
2744-50-5- Standard SMILES
CC(C)COC(=O)c1ccc2c3cccc4c(C(=O)OCC(C)C)ccc(c5cccc1c52)c43- InChIKey
YLNJGHNUXCVDIX-UHFFFAOYSA-N- Molecular formula
- C30H28O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.19875937
Names & identifiers
- Preferred name
- Diisobutyl 3,9-perylenedicarboxylate
- IUPAC
- bis(2-methylpropyl) perylene-3,9-dicarboxylate
- English name
- Perylenedicarboxylic acid bis(2-methylpropyl) ester
- Molecular formula
- C30H28O4
- Molecular weight
- 452.54
Names & synonyms
2744-50-5Solvent Green 5Diisobutyl 3,9-perylenedicarboxylate3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) esterDTXSID1062621EINECS 220-379-83,9-Perylenedicarboxylic acid, 3,9-bis(2-methylpropyl) esterRefChem:587815DTXCID8037677220-379-8diisobutyl perylene-3,9-dicarboxylatebis(2-methylpropyl) perylene-3,9-dicarboxylate
Show more names
Solvent Green FBFLUORESCENCE YELLOW 8GFFLUORESCENT YELLOW GREENPerylenedicarboxylicacidbisC.I.Solvent Green 5:C.I.59075Diisobutyl perylene-1,2-dicarboxylatebis(2-methylpropyl) perylene-dicarboxylatePerylenedicarboxylic acid bis(2-methylpropyl) esteperylenedicarboxylic acid bis(2-methylpropyl) ester
C30H28O4MFCD001916813,9-Perylenedicarboxylic acid diisobutyl esterSCHEMBL898919AKOS015901244O11723Diisobutyl Perylenedicarboxylate (mixture of regio-isomers)Diisobutyl perylene-3,9-dicarboxylate (mixture of regioisomers)
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Physicochemical properties
- Density
- 1331 at · 1331 at 20℃
- vapor pressure
- 0 Pa · 0Pa at 25℃
- form
- Solid
- LogP
- 3.2 at · 3.2 at 23℃ and pH7.2
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (169 of 169) of all reports.
Not Classified
Aggregated GHS information provided per 169 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) ester
3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,9-Perylenedicarboxylic acid, 3,9-bis(2-methylpropyl) ester: ACTIVE
Preparation methods
PreparationPerylene-3,9-dicarboxylic acid in 1-Nitrobenzene with Phosphorus pentachloride heating, and with 2-Methyl-1-propanol condensation. Note: there are some 3, 10 – isomer.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司
Related reactions
1 records
Compound notes
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