Grundinformationen
- CAS
20068-02-4- Standard-SMILES
C/C=C(/C)C#N- InChIKey
IHXNSHZBFXGOJM-HYXAFXHYSA-N- Summenformel
- C5H7N
- Durchschnittliche Molmasse
- 81,12 g/mol
- Monoisotopische Masse
- 81,05784922
Namen und Bezeichner
- Bevorzugter Name
- cis-2-Methyl-2-butenenitrile
- IUPAC
- (Z)-2-methylbut-2-enenitrile
- Lokaler Name
- (Z)-2-Methyl-2-butennitril
- Englischer Name
- (Z)-2-methyl-2-butenenitrile
- Summenformel
- C5H7N
- Molmasse
- 81.12
Namen und Synonyme
AngeliconitrileAngelic acid nitrilecis-2-Methyl-2-butenenitrilecis-2-Methyl-2-butenonitrileangelonitrile2-Butenenitrile, 2-methyl-, (Z)-2-Methyl-cis-2-butenenitrile20068-02-42-Butenenitrile, 2-methyl-, (2Z)-Crotononitrile, 2-methyl-, (Z)-HSDB 6156RKI9CB99KR
Weitere Namen anzeigen
(Z)-2-methyl-2-butenenitrile
EINECS 243-496-6DTXSID5027807HSDB-6156METHYL-2-BUTENENITRILE, (2Z)-(2Z)-2-Methyl-2-butenenitrile2Methylcis2butenenitrilecis2Methyl2butenonitrileRefChem:577315
Datenbank-Bezeichner
- CAS
20068-02-4- PubChem CID
- 6028739
- DTXSID
DTXSID5027807- ChEMBL
CHEMBL1884429- UNII
- RKI9CB99KR
- EC Number
- 243-496-6
- Nikkaji
- J280.434D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 102
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Siedepunkt
- 121 · 121-122 °C(Press: 772 Torr)
- Dichte
- 0.81968 g/cm3 · 0.81968 g/cm3
- EPA chemische Informationen
- -2 · cis-2-Methyl-2-butenenitrile (20068-02-4)
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory InformationChemical: 2-Butenenitrile, 2-methyl-, (Z)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
DOT LabelFlammable Liquid Poison
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.
Reactive GroupNitriles
Special ReportsKaplita PV and Smith RP; Toxicol Appl Pharmacol 84 (3): 533-540 (1986). Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Reactivity AlertsHighly Flammable
Reactivity Profile
Nitriles, such as CIS-2-METHYL-2-BUTENENITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
Air and Water ReactionsHighly flammable.
Sicherheit und Schutzausrüstung
Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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 ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
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
Adverse EffectsOther Poison - Chemical Asphyxiant
Sicherheitsdaten
- tsca
- TSCA listed
- Giftige Stoffe Daten
- 20068-02-4(Hazardous Substances Data)
Chemie und Industrie
Pharmakologische Informationen
Absorption, Distribution and ExcretionMay be absorbed orally, dermally and by inhalation.
Verwendung und Herstellung
Uses
Used as chemical intermediate for cis-2-Methyl-2-butenoic acid and possibly for polymers and copolymers; Also used as a solvent; [HSDB]
CHEM INT, EG, FOR CIS-2-METHYL-2-BUTENOIC ACID
CHEM INT FOR POLYMERS & COPOLYMERS (POSSIBLE USE)
SOLVENT (POSSIBLE USE)
Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-BUTENE WITH AMMONIA; ISOLATION AS A BY-PRODUCT OF ADIPONITRILE PRODN FROM BUTADIENE & HYDROGEN CYANIDE.
General Manufacturing Information2-Butenenitrile, 2-methyl-, (2Z)-: INACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter2 Anbieter
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
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