Basic information
- CAS
2307-00-8- Standard SMILES
CN1C(=O)c2ccc(N)cc2C1=O- InChIKey
KMEBUNSLFRQSEM-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 5-amino-2-methylisoindole-1,3-dione
- English name
- 4-Amino-N-methylphthalimide
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
Show more names
Database identifiers
- CAS
2307-00-8- PubChem CID
- 726931
- DTXSID
DTXSID20352452- EC Number
- 622-563-7
- Nikkaji
- J663.508C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 246 · 246-248 °C(lit.)
- Boiling point
- 368.3 · 368.3±25.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -0.27 · -0.27±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C9H8N2O2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,10H2,1H3
- InChIKey
- KMEBUNSLFRQSEM-UHFFFAOYSA-N
- SMILES
- CN1C(=O)c2ccc(N)cc2C1=O
- CAS DataBase Reference
- 2307 · 2307-00-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29251900 · 29251900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29251900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Chemistry & industry
Applications
UsesThe intermediate charge-transfer transients of 4-amino-N-methylphthalimide (4AMP) has been characterized by laser flash photolysis, steady-state and time-resolved fluorescence studies. 4AMP is a solvatochromic fluorescent dye. Transient solvation of 4AMP in binary supercritical fluids composed of 2-propanol and CO2 has been studied by frequency-domain fluorescence spectroscopy.
General DescriptionThe intermediate charge-transfer transients of 4-amino-N-methylphthalimide (4AMP) has been characterized by laser flash photolysis, steady-state and time-resolved fluorescence studies. 4AMP is a solvatochromic fluorescent dye. Transient solvation of 4AMP in binary supercritical fluids composed of 2-propanol and CO2 has been studied by frequency-domain fluorescence spectroscopy.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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