N-Methyl-4-nitrophthalimid

4-Nitro-N-methylphthalimide

HCID 92321

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Grundinformationen

CAS: 41663-84-7
Standard-SMILES: CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
InChIKey: JBCHWGTZAAZJKG-UHFFFAOYSA-N
Summenformel: C9H6N2O4
Durchschnittliche Molmasse: 206,15 g/mol
Monoisotopische Masse: 206,03275667

Namen und Bezeichner

Bevorzugter Name: 4-Nitro-N-methylphthalimide
IUPAC: 2-methyl-5-nitroisoindole-1,3-dione
Lokaler Name: N-Methyl-4-nitrophthalimid
Englischer Name: 4-Nitro-N-methylphthalimide
Summenformel: C9H6N2O4
Molmasse: 206.15

Namen und Synonyme

41663-84-7N-Methyl-4-nitrophthalimide4-Nitro-N-methylphthalimide1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro-DTXSID70280132-methyl-5-nitro-1H-isoindole-1,3(2H)-dioneEINECS 255-483-26A6EF017ZMPhthalimide, N-methyl-4-nitro-AI3-28673DTXCID308013NITRO-N-METHYLPHTHALIMIDE, 4-

Weitere Namen anzeigen

N-METHY-4-NITRO PHTHALAMIDE4-NITRO-N-METHTYLPHTHALIMIDEN-Methyl-4-nitrophthalimide>4-NITRO-N-METHYLPHTHALIMIDE 95+%N-Methyl-4-nitrophthalimide 99%

RefChem:525900255-483-22-methyl-5-nitroisoindoline-1,3-dione2-methyl-5-nitroisoindole-1,3-dioneMFCD00454263METHYLNITROPHTHALIMIDEBBL002082STK391582

Datenbank-Bezeichner

CAS: 41663-84-7
PubChem CID: 92321
DTXSID: DTXSID7028013
ChEMBL: CHEMBL2022011
UNII: 6A6EF017ZM
EC Number: 255-483-2
Nikkaji: J320.115E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 83,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 335

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWet Solid; Dry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-98 °C(lit.)
Siedepunkt: 361.1 · 361.1±25.0 °C(Predicted)
Dichte: 1.533 · 1.533±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -3.51 · -3.51±0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3
InChIKey: JBCHWGTZAAZJKG-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C([N+]([O-])=O)C=C2)C(=O)N1C
CAS Datenbank: 41663 · 41663-84-7(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Nitro-N-methylphthalimide (41663-84-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro- 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 CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: -
tsca: TSCA listed
hs_code: 2925.19.4200
RTECS-Nr.: NR3398541
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 6,700,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro-: ACTIVE

Anwendungen

Verwenden2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione is a nitroaromatic compound that is toxic to bacteria, cells, animals, humans and their environment.