Grundinformationen
- Standard-SMILES
NC(=O)Nc1ccc(Br)cc1- InChIKey
PFQUUCXMPUNRLA-UHFFFAOYSA-N- Summenformel
- C7H7BrN2O
- Durchschnittliche Molmasse
- 215,05 g/mol
- Monoisotopische Masse
- 213,97417494
Namen und Bezeichner
- Bevorzugter Name
- N-(4-Bromophenyl)urea
- IUPAC
- (4-bromophenyl)urea
- Englischer Name
- 4-Bromophenylurea
- Summenformel
- C7H7BrN2O
- Molmasse
- 215.05
Namen und Synonyme
(4-Bromophenyl)ureaN-(4-bromophenyl)ureaUNII-N4K2D5WZSIN4K2D5WZSIUrea, (4-bromophenyl)-DTXSID30173337AI3-61301PFQUUCXMPUNRLA-UHFFFAOYSA-RefChem:162112DTXCID1095828654-932-3InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
Weitere Namen anzeigen
(P-BROMOPHENYL) UREA1-(p-Bromophenyl)urea4-Bromophenylurea ,97%(4-Bromophenyl)urea >Urea, N-(4-bromophenyl)-
1967-25-54-BROMOPHENYLUREA1-(4-bromophenyl)ureaMFCD00025428(4-bromophenyl)-ureaBS-4219B2834P-bromophenylurea
Datenbank-Bezeichner
- CAS
1967-25-5- PubChem CID
- 16074
- DTXSID
DTXSID30173337- UNII
- N4K2D5WZSI
- EC Number
- 654-932-3
- Nikkaji
- J309.022A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 143
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.98
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-227°C
- Siedepunkt
- 291 ℃ · 291℃
- Dichte
- 1.708 · 1.708
- Brechungsindex
- 1.65 · 1.6500 (estimate)
- Flammpunkt
- 130 ℃ · 130℃
- storage temp.
- Store at room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.13 · 14.13±0.70(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- Purple to Dark purple to Dark red
- BRN
- 2090140 · 2090140
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationCommission Regulation (EU) No 188/2011
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Sicherheitsdaten
- hs_code
- 29242100
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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