Cumyluron

HCID 11709249CAS 99485-76-4

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Grundinformationen

Standard-SMILES: CC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1
InChIKey: VYNOULHXXDFBLU-UHFFFAOYSA-N
Summenformel: C17H19ClN2O
Durchschnittliche Molmasse: 302,8 g/mol
Monoisotopische Masse: 302,1185909

Namen und Bezeichner

Bevorzugter Name: Cumyluron
IUPAC: 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
Englischer Name: CUMYLURON
Summenformel: C17H19ClN2O
Molmasse: 302.8

Namen und Synonyme

Cumyluron99485-76-4Cumyluron [ISO]1-(2-chlorobenzyl)-3-(1-methyl-1-phenylethyl)ureaUNII-82H75W2NPD82H75W2NPDDTXSID7052862N-((2-CHLOROPHENYL)METHYL)-N'-(1-METHYL-1-PHENYLETHYL)UREARefChem:128792DTXCID4031273619-438-41-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea

Weitere Namen anzeigen

C-940IC 940JC 940DibenzyluronCUMYLURON STANDARDC11775000 CumyluronCumyluron 10.0 μg/ml AcetonitrileCumyluron@100 μg/mL in Acetonitrile

cu-myluronSCHEMBL118815SCHEMBL29414021CHEBI:81738MSK22466UREA,N-[(2-CHLOROPHENYL)METHYL]-N'-(1-METHYL-1-PHENYLETHYL)-AS-88626NS00001707

Datenbank-Bezeichner

CAS: 99485-76-4
PubChem CID: 11709249
DTXSID: DTXSID7052862
ChEBI: CHEBI:81738
UNII: 82H75W2NPD
EC Number: 619-438-4
Nikkaji: J1.535.292B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 340

Physikochemische Eigenschaften

Schmelzpunkt: 167.9 ℃165~170℃approximate · 167.9℃165~170℃approximate 173℃
Siedepunkt: 503 · 503.0±43.0 °C(Predicted)
Dichte: 1.164 · 1.164
storage temp.: 0 · 0-6°C
pka: 13.33 · 13.33±0.46(Predicted)
Henry's Law Constant: 2.5 · 2.5×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
EPA chemische Informationen: Urea, N-[(2-chlorophenyl)methyl]-N'-(1-methyl-1-phenylethyl)- (99485-76-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H320: Causes eye irritation [Warning Serious eye damage/eye irritation]；H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Aquatic Chronic 3 (97.5%)

Acute toxicity (Oral) - Category 4；Serious eye damage/eye irritation - Category 2B；Specific target organ toxicity - Repeated exposure - Category 1 (liver), Category 2 (blood system, kidney)