Basic information
- CAS
1875-48-5- Standard SMILES
NN1C(=O)c2ccccc2C1=O- InChIKey
KSILMCDYDAKOJD-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292743
Overview
structure in first source
Names & identifiers
- Preferred name
- N-Aminophthalimide
- IUPAC
- 2-aminoisoindole-1,3-dione
- English name
- N-Aminophthalimide
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
Show more names
Database identifiers
- CAS
1875-48-5- PubChem CID
- 74645
- DTXSID
DTXSID70172061- EC Number
- 217-505-9
- Nikkaji
- J126.330G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 200 · 200-202 °C(lit.)
- Boiling point
- 288.82 °C · 288.82°C (rough estimate)
- Density
- 1.3264 · 1.3264 (rough estimate)
- refractive index
- 1.577 · 1.5770 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Solubility in hot methanol almost transparent.
- pka
- -1.73 · -1.73±0.20(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 383756 · 383756
- InChI
- InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
- InChIKey
- KSILMCDYDAKOJD-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)N1N
- CAS DataBase Reference
- 1875 · 1875-48-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H319-H334-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-42/43
- Safety Statements
- 22 · 22-26-36/37-45
- WGK Germany
- 3 · 3
- F
- 9 · 9
- HS Code
- 29251900 · 29251900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Resp · Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
A skin and strong eye irritant; May cause skin and respiratory sensitization; [Sigma-Aldrich MSDS] Search for (1875-48-5[EC/RN Number]) AND (sensitizer OR sensitization OR allergic OR dermatitis): no results; [PubMed] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide, Folpet, and N-(Cyclohexylthio)phthalimide.
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29251900
- risk_code
- 36/37/38-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36/37-45
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H334-H335
- Hazard Classifications
- Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt is employed in the aziridination of chiral N-enoyl sultams. It is also used in the synthesis of n-phthalimidoaziridines
UsesN-Aminophthalimide was employed in the aziridination of chiral N-enoyl sultams. It was also used in the synthesis of n-phthalimidoaziridines.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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