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Phenylethylmalonamide

HCID 178848044
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Grundinformationen

CAS
80147-40-6
Standard-SMILES
CCC(C(N)=O)(C(N)=O)c1ccccc1
InChIKey
JFZHPFOXAAIUMB-UHFFFAOYSA-N
Summenformel
C11H14N2O2
Durchschnittliche Molmasse
206,24 g/mol

Überblick

2-phenyl-2-ethylmalondiamide is a white crystalline solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Phenylethylmalonamide
IUPAC
2-ethyl-2-phenylpropanediamide
Englischer Name
2-Phenyl-2-ethylmalondiamide
Molmasse
0

Namen und Synonyme

2-Ethyl-2-phenylmalonamidePhenylethylmalonamide7206-76-0PEMA2-ETHYL-2-PHENYLPROPANEDIAMIDEPhenylethylmalondiamidePropanediamide, 2-ethyl-2-phenyl-2-Phenyl-2-ethylmalondiamidePEMA (amide)Malonamide, 2-ethyl-2-phenyl-2-Ethyl-2-phenylmalondiamide2-ethyl-2-phenyl-propanediamide
Weitere Namen anzeigen
Ccris 4700
Ethylphenylmalondiamide2-Phenyl-2-ethylmalonamideDTXSID302588567CFD7341WEthylphenylmalonamide2 Ethyl 2 PhenylmalonamideRefChem:173058DTXCID505885

Datenbank-Bezeichner

CAS
80147-40-6
ChEMBL
CHEMBL249467
ChEBI
CHEBI:8097
UNII
67CFD7341W
EC Number
230-583-9
Nikkaji
J125.795A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
86,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
15
Formalladung
0
Komplexität
243

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Metabolite of Primidone
LogP0.13
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point201 to 226 °F (possible decomposition) (NTP, 1992)
Physical Description2-phenyl-2-ethylmalondiamide is a white crystalline solid. (NTP, 1992)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

SYMPTOMS: Symptoms of exposure to a related compound through ingestion may include sedation, vertigo, dizziness, nausea, vomiting, ataxia, diplopia, nystagmus, an acute feeling of intoxication and, rarely, maculopapular and morbilliform rash, leukopenia, thrombocytopenia, systemic lupus erythematosus, lymphadenopathy, acute psychotic reactions, hemorrhagic disease in the neonate, megaloblastic anemia and osteomalacia. (NTP, 1992)

Reactive GroupAmides and Imides
Reactivity Profile · 1 Eintrag

2-PHENYL-2-ETHYLMALONDIAMIDE 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).

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories

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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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)