Grundinformationen
- Standard-SMILES
CCCCNC(N)=O- InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N- Summenformel
- C5H12N2O
- Durchschnittliche Molmasse
- 116,16 g/mol
- Monoisotopische Masse
- 116,094963
Überblick
N-butylurea is an odorless white solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Butylurea
- IUPAC
- butylurea
- Lokaler Name
- Butylharnstoff
- Englischer Name
- N-Butylurea
- Summenformel
- C5H12N2O
- Molmasse
- 116.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
592-31-4- PubChem CID
- 11595
- DTXSID
DTXSID6020222- ChEMBL
CHEMBL3182932- UNII
- 9CPL5NR15K
- EC Number
- 209-748-4
- Nikkaji
- J1.646B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 72,8
Experimentelle und physikochemische Eigenschaften
Color/Form
TABLETS FROM WATER; NEEDLES FROM BENZENE
WHITE SOLID
Solubility
10 to 50 mg/mL at 64 °F (NTP, 1992)
VERY SOL IN WATER, ALCOHOL
SOL IN ETHER
Melting Point
205 °F (NTP, 1992)
96 °C
Physical Description
N-butylurea is an odorless white solid. (NTP, 1992)
White odorless solid; [Hawley]
Physikochemische Eigenschaften
- Schmelzpunkt
- 95 · 95-98 °C (lit.)
- Siedepunkt
- 217.23 °C · 217.23°C (rough estimate)
- Dichte
- 1.0551 · 1.0551 (rough estimate)
- Brechungsindex
- 1.4432 · 1.4432 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Methanol
- Aggregatzustand
- Solid
- pka
- 14.38 · 14.38±0.46(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- soluble
- BRN
- 1744775 · 1744775
- InChI
- 1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
- InChIKey
- CNWSQCLBDWYLAN-UHFFFAOYSA-N
- SMILES
- CCCCNC(N)=O
- CAS Datenbank
- 592 · 592-31-4(CAS DataBase Reference)
- NIST chemische Informationen
- Urea, butyl-(592-31-4)
- EPA chemische Informationen
- Butylurea (592-31-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Reactivity Profile
N-BUTYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This compound decomposes on heating. (NTP, 1992)
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxikologische Informationen
Interactions
SUBSEDATIVE IP DOSE OF BUTYLUREA POTENTIATED BARBITURATE SLEEPING TIME IN MICE, AN EFFECT WHICH WAS PROLONGED BY SKF-525A. BUTYLUREA PROTECTED MICE AGAINST STRYCHNINE LETHALITY, BUT NOT CONVULSIONS, & PENTETRAZOLE CONVULSIONS BUT NOT LETHALITY.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241990
- RTECS-Nr.
- YS3675000
- risk_code
- 22-68-37-20/21/22
- hazard_code
- Xn
- safety_code
- 45-36/37-36
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 592-31-4(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwendenn-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.
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