Diethyl 2-phthalimidomalonate-2-13C
Basic information
- CAS
88596-93-4- Standard SMILES
CCOC(=O)[13CH](C(=O)OCC)N1C(=O)c2ccccc2C1=O- InChIKey
SZNGBHWKVWEBKW-KHWBWMQUSA-N- Molecular formula
- C15H15NO6
- Average molar mass
- 306.27 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-phthalimidomalonate-2-13C
- IUPAC
- diethyl 2-(1,3-dioxoisoindol-2-yl)(213C)propanedioate
- English name
- Diethyl 2-phthalimidomalonate-2-13C
- Molecular formula
- C15H15NO6
- Molecular weight
- 306.29
Names & synonyms
92096-47-4Diethyl 2-phthalimidomalonate-2-13CRefChem:587127635-605-4DIETHYL2-PHTHALIMIDOMALONATE-2-13C88596-93-4starbld0016582SCHEMBL1332360Diethyl 2-phthalimidomalonate-2-13C, 99 atom % 13C
Database identifiers
- CAS
88596-93-4- EC Number
- 635-605-4
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
- 74 · 74-76 °C(lit.)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…