Chloromethylphthalimide
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Basic information
- CAS
17564-64-6- Standard SMILES
O=C1c2ccccc2C(=O)N1CCl- InChIKey
JKGLRGGCGUQNEX-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.00870611
Names & identifiers
- Preferred name
- Chloromethylphthalimide
- IUPAC
- 2-(chloromethyl)isoindole-1,3-dione
- English name
- N-(Chloromethyl)phthalimide
- Molecular formula
- C9H6ClNO2
- Molecular weight
- 195.6
Names & synonyms
17564-64-6N-(Chloromethyl)phthalimideChloromethylphthalimide1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-N-Chloromethyltrimellitimide2-(Chloromethyl)-1H-isoindole-1,3(2H)-dionePhthalimide, N-(chloromethyl)-Phthalimide, N-chloromethyl-CCRIS 7991DTXSID3027790EINECS 241-541-4NSC 29558
Show more names
AKOS BBS-00000871TIMTEC-BB SBB000346N-(Chloromethyl)phthalimide,97%N-(Chloromethyl)phthalimide 97%N-(Chloromethyl)phthalimide, 98+%
N45CYY145ENSC-29558DTXCID807790PHTHALIMIDOMETHYL CHLORIDENChloromethylphthalimideRefChem:575906Phthalimide, NchloromethylPhthalimide, N(chloromethyl)
Database identifiers
- CAS
17564-64-6- PubChem CID
- 87154
- DTXSID
DTXSID3027790- ChEMBL
CHEMBL369138- UNII
- N45CYY145E
- EC Number
- 241-541-4
- Nikkaji
- J26.866F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 131 · 131-135 °C (lit.)
- Boiling point
- 305.2 · 305.2±25.0 °C(Predicted)
- Density
- 1.3228 · 1.3228 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · chloroform: soluble50mg/mL
- form
- powder to crystal
- pka
- -2.63 · -2.63±0.20(Predicted)
- color
- White to Almost white
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
Danger
H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide and Folpet.
Hazard Classes and CategoriesAcute Tox. 3 (88.9%)
Safety data
- F
- 9-21
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29251995
- risk_code
- 36/37/38-52/53-43-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-61-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-: ACTIVE
Applications
UsesN-(Chloromethyl)phthalimide is used as an agrochemical and medicine intermediates and is used in organic synthesis. Microporous membranes prepared from chemically modified polysulfone, which is a derivative of this compound have better streaming potential.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
20 records
Compound notes
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