1-Cyclohexyl-1H-pyrrol-2,5-dion

1H-Pyrrole-2,5-dione, 1-cyclohexyl-

HCID 74203

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Grundinformationen

CAS: 1631-25-0
Standard-SMILES: O=C1C=CC(=O)N1C1CCCCC1
InChIKey: BQTPKSBXMONSJI-UHFFFAOYSA-N
Summenformel: C10H13NO2
Durchschnittliche Molmasse: 179,22 g/mol
Monoisotopische Masse: 179,09462866

Namen und Bezeichner

Bevorzugter Name: 1H-Pyrrole-2,5-dione, 1-cyclohexyl-
IUPAC: 1-cyclohexylpyrrole-2,5-dione
Lokaler Name: 1-Cyclohexyl-1H-pyrrol-2,5-dion
Englischer Name: N-Cyclohexylmaleimide
Summenformel: C10H13NO2
Molmasse: 179.22

Namen und Synonyme

N-Cyclohexylmaleimide1-Cyclohexyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-cyclohexyl-3BD6JKD4Q7EINECS 216-630-6NSC 524431NSC-524431DTXSID4061834RefChem:79950DTXCID60352391631-25-01-cyclohexylpyrrole-2,5-dione

Weitere Namen anzeigen

AKOS MSC-0038ASISCHEM D13289CyclohexylmaleimideTIMTEC-BB SBB005910N-CyclohexylmaleinimideN-CYCLOHEXYLMALEIC IMIDEN-Cyclohexylmaleimide 97%N-Cyclohexylmaleimide >

Maleimide, N-cyclohexyl-MFCD00043904N-CYCLOHEXYL MALEIMIDESCHEMBL287191-cyclohexylazoline-2,5-dioneAS-14827F10262Q26840843

Datenbank-Bezeichner

CAS: 1631-25-0
PubChem CID: 74203
DTXSID: DTXSID4061834
ChEMBL: CHEMBL4547552
UNII: 3BD6JKD4Q7
EC Number: 216-630-6
Nikkaji: J93.736C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 246

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-91 °C (lit.)
Siedepunkt: 132 °C · 132 °C / 17mmHg
Dichte: 1.226 · 1.226±0.06 g/cm3(Predicted)
Dampfdruck: 80 Pa · 80Pa at 25℃
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Insoluble in water
Aggregatzustand: powder to lump
pka: -2.26 · -2.26±0.20(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: 260 mg/L · 260mg/L at 25℃
InChI: InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKey: BQTPKSBXMONSJI-UHFFFAOYSA-N
SMILES: N1(C2CCCCC2)C(=O)C=CC1=O
LogP: 2.57 at · 2.57 at 23℃
CAS Datenbank: 1631 · 1631-25-0(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-cyclohexyl- (1631-25-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (30.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23534

Hazard Classes and CategoriesAcute Tox. 3 (30.2%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29251900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Pyrrole-2,5-dione, 1-cyclohexyl-: ACTIVE

Anwendungen

VerwendenN-Cyclohexylmaleimide (CHMI, NCMI) may be used for the preparation of hyperbranched copolymers of p-(chloromethyl)styrene (CMS) and NCMI, via atom transfer radical copolymerization reaction.