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Butylharnstoff

Butylurea

HCID 11595
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Grundinformationen

CAS
592-31-4
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

N-BUTYLUREAButylurea592-31-41-ButylureaUrea, butyl-NCI-C021319CPL5NR15KDTXSID6020222NSC-2597DTXCID20222RefChem:163071209-748-4
Weitere Namen anzeigen
butyl-ureUREA,BUTYL-monobutylureaurea,N-butyl-N-n-ButylureaButylurea >
Urea, N-butyl-MFCD00007956HSDB 5497UNII-9CPL5NR15KNSC 2597EINECS 209-748-4BRN 1744775AI3-52319

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 StruktureigenschaftenWird ergänzt

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

Chemical ClassesNitrogen Compounds -> Urea Compounds
SpringerMaterials PropertiesBoiling point
LogP0.41
OdorODORLESS
Color/Form · 2 Einträge

TABLETS FROM WATER; NEEDLES FROM BENZENE

WHITE SOLID

Solubility · 3 Einträge

10 to 50 mg/mL at 64 °F (NTP, 1992)

VERY SOL IN WATER, ALCOHOL

SOL IN ETHER

Melting Point · 2 Einträge

205 °F (NTP, 1992)

96 °C

Vapor Pressure0.03 [mmHg]
Physical Description · 2 Einträge

N-butylurea is an odorless white solid. (NTP, 1992)

White odorless solid; [Hawley]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound emits toxic fumes when heated to decomposition. (NTP, 1992)
Hazards SummaryA CNS depressant; [ChemIDplus] Affects sister chromatid exchange in in-vitro studies; [HSDB] Causes general anesthesia and somnolence in parenteral lethal-dose studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity Profile · 1 Eintrag

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)

Air and Water ReactionsWater soluble.

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as oxidizing agent for copper; [NTP]
General Manufacturing InformationUrea, N-butyl-: ACTIVE

Anwendungen

Verwendenn-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.

Zugehörige Reaktionen

19
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 247548
HRID 247548als Eduktuspto-grants-1987_11
Reaktionsgleichung von HRID 542248
HRID 542248als Eduktuspto-grants-1987_04
Reaktionsgleichung von HRID 571407
HRID 571407als Eduktuspto-grants-2015_05
Reaktionsgleichung von HRID 667664
HRID 667664als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 894095
HRID 894095als Eduktuspto-grants-1981_08
Reaktionsgleichung von HRID 942292
HRID 942292als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 984661
HRID 984661als Eduktuspto-grants-2005_03
Reaktionsgleichung von HRID 1076644
HRID 1076644als Eduktuspto-grants-1976_05
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Other Experimental Properties
DECOMPOSES ON HEATING

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)
Hazard Classes and Categories
Acute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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) · 1 Eintrag

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 · 1 Eintrag

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.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsMUTAGENICITY: MUTATION RESEARCH 87: 17 (1981). SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, NON-HUMAN: POSITIVE.

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