Basic information
- CAS
29097-77-6- Standard SMILES
CCOC(=O)C(C(=O)OCC)N1C(=O)c2ccccc2C1=O- InChIKey
SZNGBHWKVWEBKW-UHFFFAOYSA-N- Molecular formula
- C15H15NO6
- Average molar mass
- 305.28 g/mol
- Monoisotopic mass
- 305.0899372
Names & identifiers
- Preferred name
- Diethyl phthalimidomalonate
- IUPAC
- diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
- English name
- Phthalimidomalonic acid diethyl ester
- Molecular formula
- C15H15NO6
- Molecular weight
- 305.28
Names & synonyms
Diethyl phthalimidomalonateDiethyl 2-phthalimidomalonateEthyl phthalimidomalonatePropanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl esterOG2E8O4WBR2-Isoindolinemalonic acid, 1,3-dioxo-, diethyl esterEINECS 227-138-6UNII-OG2E8O4WBRNSC 12023NSC-12023AI3-18227DTXSID2063975
Show more names
Nsc12023LABOTEST-BB LT00847569DiethylPhthalimidomalonate>Diethyl 2-phthalimidomalote, 98%Phthalimidomalonic acid diethyl esterMalonic acid, phthaliMido-, diethyl ester
Propanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3-diethyl esterRefChem:133438DTXCID0042119227-138-6SZNGBHWKVWEBKW-UHFFFAOYSA-N5680-61-5Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonateMFCD00065025
Database identifiers
- CAS
29097-77-6、5680-61-5- PubChem CID
- 79760
- DTXSID
DTXSID2063975- UNII
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Melting point
- 73 · 73-76 °C (lit.)
- Boiling point
- 425.3 · 425.3±35.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 9.88 · 9.88±0.20(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 303845 · 303845
- InChI
- 1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
- InChIKey
- SZNGBHWKVWEBKW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(N1C(=O)c2ccccc2C1=O)C(=O)OCC
- CAS DataBase Reference
- 5680 · 5680-61-5(CAS DataBase Reference)
- FDA UNII
- 2 E8O4WBR · OG2E8O4WBR
- EPA Substance Registry System
- Propanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester (5680-61-5)
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2925.19.4200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3-diethyl ester: INACTIVE
Applications
UsesDiethyl phthalimidomalonate (diethyl 2-phthalimidomalonate) may be employed as suitable neutral carrier in the new poly(vinyl chloride) membrane sensor, for the determination of Cr3+ ions in sample solutions.
General DescriptionDiethyl phthalimidomalonate is an N-malonic ester substituted pthalimide. UV spectra of diethyl phthalimidomalonate has been determined from pH 1 to 12.8.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
2 records
Compound notes
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