N-Phthaloyl-DL-glutamic anhydride
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Basic information
- CAS
3085-92-5- Standard SMILES
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)O1- InChIKey
ICDLEMPZXFCQEB-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Names & identifiers
- Preferred name
- N-Phthaloyl-DL-glutamic anhydride
- IUPAC
- 2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione
- English name
- N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE
- Molecular formula
- C13H9NO5
- Molecular weight
- 259.21
Names & synonyms
3343-28-0N-Phthaloyl-DL-glutamic anhydride1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-2,6-dioxo-2H-pyran-3-yl)-2-Phthalimidoglutaric Anhydride3U6J97P1G8NSC-9986NSC-120846N-(Tetrahydro-2,6-dioxo-2H-pyran-3-yl)phthalimideDTXSID20863154N-PHTHALYLGLUTAMIC ANHYDRIDE, DL-RefChem:831018DTXCID40811819
Show more names
4-phthalimidoglutaricanhydride2-phthalimido-glutaricanhydridalpha-phthalimidoglutaricanhydride2-phthalimidoglutaricacidanhydrideN-Phthaloyl-DL-glutamicAnhydride>N-Phthaloyl-DL-glutamic anhydride 98%N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE 98
N-Phthalyl-DL-glutamic anhydride3085-92-52-(2,6-Dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione2-(2,6-dioxooxan-3-yl)isoindole-1,3-dioneMFCD00005886Glutaric anhydride, 2-phthalimido-N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE 982-(2,6-dioxooxan-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
Database identifiers
- CAS
3085-92-5、3343-28-0- PubChem CID
- 92193
- DTXSID
DTXSID20863154- ChEMBL
CHEMBL72541- UNII
- 3U6J97P1G8
- EC Number
- 222-088-1
- Nikkaji
- J75.650D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 197 · 197-201 °C(lit.)
- Boiling point
- 402.47 °C · 402.47°C (rough estimate)
- Density
- 1.3394 · 1.3394 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- solubility
- soluble in Dioxane
- form
- powder to crystal
- pka
- -2.6 · -2.60±0.20(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2
- InChIKey
- ICDLEMPZXFCQEB-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)N1C1CCC(=O)OC1=O
- CAS DataBase Reference
- 3343 · 3343-28-0
- FDA UNII
- 3 U6J97P1G8 · 3U6J97P1G8
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-2,6-dioxo-2H-pyran-3-yl)- (3343-28-0)
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MA3900000
- hs_code
- 2925.19.4200
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 23-26-36/37/39-45
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-2,6-dioxo-2H-pyran-3-yl)-: INACTIVE
Applications
UsesN-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE is used as intermediate of the reaction.
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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