N-(Chlormethyl)phthalimid

Chloromethylphthalimide

HCID 87154CAS 17564-64-6

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)N1CCl
InChIKey: JKGLRGGCGUQNEX-UHFFFAOYSA-N
Summenformel: C9H6ClNO2
Durchschnittliche Molmasse: 195,6 g/mol
Monoisotopische Masse: 195,00870611

Namen und Bezeichner

Bevorzugter Name: Chloromethylphthalimide
IUPAC: 2-(chloromethyl)isoindole-1,3-dione
Lokaler Name: N-(Chlormethyl)phthalimid
Englischer Name: N-(Chloromethyl)phthalimide
Summenformel: C9H6ClNO2
Molmasse: 195.6

Namen und Synonyme

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

Weitere Namen anzeigen

AKOS BBS-00000871TIMTEC-BB SBB000346N-(Chloromethyl)phthalimide,97%N-(Chloromethyl)phthalimide 97%N-(Chloromethyl)phthalimide, 98+%

N45CYY145ENSC-29558DTXCID807790PHTHALIMIDOMETHYL CHLORIDENChloromethylphthalimideRefChem:575906Phthalimide, NchloromethylPhthalimide, N(chloromethyl)

Datenbank-Bezeichner

CAS: 17564-64-6
PubChem CID: 87154
DTXSID: DTXSID3027790
ChEMBL: CHEMBL369138
UNII: N45CYY145E
EC Number: 241-541-4
Nikkaji: J26.866F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 230

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-135 °C (lit.)
Siedepunkt: 305.2 · 305.2±25.0 °C(Predicted)
Dichte: 1.3228 · 1.3228 (rough estimate)
Brechungsindex: 1.579 · 1.5790 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: 50 mg/mL · chloroform: soluble50mg/mL
Aggregatzustand: powder to crystal
pka: -2.63 · -2.63±0.20(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: slightly soluble
BRN: 140942 · 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 Datenbank: 17564 · 17564-64-6(CAS DataBase Reference)
NIST chemische Informationen: N-(chloromethyl)phthalimide(17564-64-6)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

F: 9-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
hs_code: 29251995
risk_code: 36/37/38-52/53-43-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39-61-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-(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.