HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chloromethylphthalimide
AKOS BBS-00000871 · TIMTEC-BB SBB000346 · Chloromethylphthalimide · N-(CHLOROMETHYL)PHTHALIMIDE · N-Chloromethyltrimellitimide · Phthalimide, N-(chloromethyl)- · N-(Chloromethyl)phthalimide,97% · N-(Chloromethyl)phthalimide 97%
Identifiers & Physical Properties
| CAS No. | 17564-64-6 |
|---|---|
| Molecular formula | C9H6ClNO2 |
| Average molar mass | 195.6 g/mol |
| Monoisotopic mass | 195.00870611 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCl |
| InChIKey | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| PubChem CID | 87154 |
| ChEMBL | CHEMBL369138 |
| EC No. | 241-541-4 |
| DTXSID | DTXSID3027790 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 37.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 230 |
| Chemical classes | Nitrogen Compounds -> Other Nitrogen Rings |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White powder[Alfa Aesar MSDS] |
| Melting point | 131-135 °C (lit.) |
| Boiling point | 305.2±25.0 °C(Predicted) |
| Density | 1.3228 (rough estimate) |
| Refractive index | 1.5790 (estimate) |
| Storage conditions | 2-8°C |
| Solubility | chloroform: soluble50mg/mLslightly soluble |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | -2.63±0.20(Predicted) |
| Color | White to Almost white |
| BRN | 140942 |
| InChI | InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2 |
| InChIKey | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCl |
| CAS DataBase Reference | 17564-64-6(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | N45CYY145E |
| NIST Chemistry Reference | N-(chloromethyl)phthalimide(17564-64-6) |
| EPA Substance Registry System | 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H315-H317-H319-H335 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-52/53-43-22 |
| Safety statements (S) | 26-36-37/39-61-45 |
| UN transport number | UN 2811 6.1 / PGIII |
| Water hazard class (WGK) | 3 |
| F | 9-21 |
| TSCA inventory status | TSCA listed |
| Customs code | 29251995 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH301 (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. |
|---|---|
| Hazards summary | A skin and strong eye irritant[Alfa Aesar MSDS] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide and Folpet. |
| Hazard Classes and Categories | Acute Tox. 3 (88.9%) |
| F | 9-21 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2811 6.1 / PGIII |
| Customs code | 29251995 |
| Risk statements (R) | 36/37/38-52/53-43-22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-37/39-61-45 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Target organs | Respiratory system |
| GHS hazard statements | H301-H315-H317-H319-H335 |
| Hazard class | Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| GHS precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
N-(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.