N-Butylphthalimid

N-Butylphthalimide

HCID 73812CAS 1515-72-6

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Grundinformationen

Standard-SMILES: CCCCN1C(=O)c2ccccc2C1=O
InChIKey: DLKDEVCJRCPTLN-UHFFFAOYSA-N
Summenformel: C12H13NO2
Durchschnittliche Molmasse: 203,24 g/mol
Monoisotopische Masse: 203,09462866

Namen und Bezeichner

Bevorzugter Name: N-Butylphthalimide
IUPAC: 2-butylisoindole-1,3-dione
Lokaler Name: N-Butylphthalimid
Englischer Name: N-Butylphthalimide
Summenformel: C12H13NO2
Molmasse: 203.24

Namen und Synonyme

N-Butylphthalimide1515-72-6N-(n-Butyl)Phthalimide1-Phthalimidobutane1H-Isoindole-1,3(2H)-dione, 2-butyl-2-Butyl-1H-isoindole-1,3(2H)-dionebutylphthalimideN-n-ButylphthalimideDTXSID8044591UNII-5TH1DKT35E5TH1DKT35ENSC 3559

Weitere Namen anzeigen

2-Butylisoindoline-1,3-dioneBUTYL PHTHALIMIDEN-Buthlphthalimiden-Butyl PhthalaMideN-N-BUTYLPHTALIMIDEN-buthlphthalimide (B)LABOTEST-BB LT00455650

NSC-3559EINECS 216-157-5AI3-02418DTXCID6024591RefChem:163065BUTYLPHTHALIMIDE [INCI]216-157-5DLKDEVCJRCPTLN-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 1515-72-6
PubChem CID: 73812
DTXSID: DTXSID8044591
ChEMBL: CHEMBL79250
UNII: 5TH1DKT35E
EC Number: 216-157-5
Nikkaji: J151.140H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 251

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-33 °C
Siedepunkt: 120 · 120-123°C 5mm
Dichte: 1.1255 · 1.1255 (rough estimate)
Brechungsindex: 1.526 · 1.5260 (estimate)
Flammpunkt: 120 · 120-123°C/5mm
storage temp.: Store at room temperature
pka: -2.09 · -2.09±0.20(Predicted)
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Yellow
BRN: 147784 · 147784
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONINGPLASTICISER
InChI: InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChIKey: DLKDEVCJRCPTLN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC
LogP: 3.15 · 3.150 (est)
CAS Datenbank: 1515 · 1515-72-6(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-butyl- (1515-72-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 12.1% (8 of 66) of reports.

Warning

H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1H-Isoindole-1,3(2H)-dione, 2-butyl-

1H-Isoindole-1,3(2H)-dione, 2-butyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-butyl- 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)

1H-Isoindole-1,3(2H)-dione, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (18.2%)