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

1-CYCLOHEXYL-1H-PYRROLE-2,5-DIONE · AKOS MSC-0038 · ASISCHEM D13289 · Cyclohexylmaleimide · TIMTEC-BB SBB005910 · N-CYCLOHEXYLMALEIMIDE · N-Cyclohexylmaleinimide · N-CYCLOHEXYLMALEIC IMIDE

https://huagongshe.com/de/chemical/74203

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

Identifikatoren & physikalische Daten

CAS No.	1631-25-0
Summenformel	C10H13NO2
Durchschnittliche Molmasse	179,22 g/mol
Monoisotopische Masse	179,09462866 g/mol
SMILES	O=C1C=CC(=O)N1C1CCCCC1
InChIKey	BQTPKSBXMONSJI-UHFFFAOYSA-N
PubChem CID	74203
ChEMBL	CHEMBL4547552
EC No.	216-630-6
DTXSID	DTXSID4061834
Lokaler Name	1-Cyclohexyl-1H-pyrrol-2,5-dion

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	37,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	246
Schmelzpunkt	89-91 °C (lit.)
Siedepunkt	132 °C / 17mmHg
Dichte	1.226±0.06 g/cm3(Predicted)
Dampfdruck	80Pa at 25℃
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Insoluble in water260mg/L at 25℃
Aggregatzustand	powder to lump
pKa (Säurekonstante)	-2.26±0.20(Predicted)
Farbe	White to Almost white
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 (Verteilungskoeffizient)	2.57 at 23℃
CAS Datenbank	1631-25-0(CAS DataBase Reference)
EPA chemische Informationen	1H-Pyrrole-2,5-dione, 1-cyclohexyl- (1631-25-0)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (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.
Regulatorische Informationen	Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23534
Hazard Classes and Categories	Acute Tox. 3 (30.2%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	2811
Zollcode	29251900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	26-37/39
Gefahrenklasse	6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3
Verpackungsgruppe	II
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Anwendungen & Verwendung

Verwenden

N-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.