N-Methylphthalimid

N-Methylphthalimide

HCID 11074

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 550-44-7
Standard-SMILES: CN1C(=O)c2ccccc2C1=O
InChIKey: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767846

Namen und Bezeichner

Bevorzugter Name: N-Methylphthalimide
IUPAC: 2-methylisoindole-1,3-dione
Lokaler Name: N-Methylphthalimid
Englischer Name: N-Methylphthalimide
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

N-Methylphthalimide550-44-7Phthalimide, N-methyl-1H-Isoindole-1,3(2H)-dione, 2-methyl-N-methyl phthalimideEINECS 208-982-42-methyl-isoindole-1,3-dioneDTXSID5027198NSC 44059NSC-44059BRN 0124428AI3-01393

Weitere Namen anzeigen

METHYL PHTHALIMIDET56 BVNVJ C1n-methyl-phthalimidPHTHALIMIDE-N-METHYLN-Methylphthalimide>MethylisoindolinedioneRivaroxaban Impurity 202-Methyl-1H-isoindole-1

647UP45J2U5-21-10-00273 (Beilstein Handbook Reference)DTXCID807198RefChem:830764208-982-42-Methylisoindoline-1,3-dione2-methylisoindole-1,3-dioneMFCD00023063

Datenbank-Bezeichner

CAS: 550-44-7
PubChem CID: 11074
DTXSID: DTXSID5027198
ChEMBL: CHEMBL172614
UNII: 647UP45J2U
EC Number: 208-982-4
Nikkaji: J1.112.734G、J113.035H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

LogP1.31

Physical DescriptionDry Powder

Collision Cross Section129.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5027198]

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-132 °C (lit.)
Siedepunkt: 286.05 °C · 286.05°C
Dichte: 1.2443 · 1.2443 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: -2.09 · -2.09±0.20(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
BRN: 124428 · 124428
InChI: InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1C
CAS Datenbank: 550 · 550-44-7(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl-(550-44-7)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl- (550-44-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.6%): 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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

1H-Isoindole-1,3(2H)-dione, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29251900
RTECS-Nr.: TI5602700
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 7,800,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

1H-Isoindole-1,3(2H)-dione, 2-methyl-: ACTIVE

Anwendungen

VerwendenPhotoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene h and the selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one have been studied.