ChemicalBook--->CAS DataBase List--->16529-56-9

16529-56-9

16529-56-9 Structure

16529-56-9 Structure
IdentificationBack Directory
[Name]

2-METHYL-3-BUTENENITRILE
[CAS]

16529-56-9
[Synonyms]

ai3-30534
3-cyanobut-1-ene
3-CYANO-1-BUTENE
2-methyl-3-butenenitril
2-METHYL-3-BUTENENITRILE
Butenenitrile, 2-methyl-
1-METHYL-2-PROPENYL CYANIDE
2-METHYL-3-BUTENENITRILE 70+%
2-Methyl-3-butenitrile, tech-95
2-Methyl-3-butenenitrile, tech-95
3-Cyano-1-butene 1-Methyl-2-propenyl Cyanide
[EINECS(EC#)]

240-596-1
[Molecular Formula]

C5H7N
[MDL Number]

MFCD00042634
[MOL File]

16529-56-9.mol
[Molecular Weight]

81.12
Chemical PropertiesBack Directory
[Boiling point ]

124 °C
[density ]

0,82 g/cm3
[refractive index ]

1.4070 to 1.4110
[Fp ]

15°C
[Water Solubility ]

Slightly soluble in water
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.82
[InChI]

InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3
[InChIKey]

WBAXCOMEMKANRN-UHFFFAOYSA-N
[SMILES]

C(#N)C(C)C=C
[EPA Substance Registry System]

2-Methyl-3-butenenitrile (16529-56-9)
Safety DataBack Directory
[Risk Statements ]

11-20/21/22
[Safety Statements ]

16-26-36/37/39
[RIDADR ]

3275
[TSCA ]

TSCA listed
[HS Code ]

2926.90.5050
[REACH Registrations]

Active
[HazardClass ]

3.1
[PackingGroup ]

I
[Toxicity]

rat,LDLo,oral,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEAGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS,National Technical Information Service. Vol. OTS0571510,
Hazard InformationBack Directory
[General Description]

Clear yellow liquid.
[Air & Water Reactions]

Highly flammable. Soluble in water.
[Reactivity Profile]

Nitriles, such as 2-METHYL-3-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.
[Fire Hazard]

2-METHYL-3-BUTENENITRILE is flammable.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-3-BUTENENITRILE(16529-56-9)MS
2-METHYL-3-BUTENENITRILE(16529-56-9)1HNMR
2-METHYL-3-BUTENENITRILE(16529-56-9)13CNMR
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