ChemicalBook--->CAS DataBase List--->16529-66-1

16529-66-1

16529-66-1 Structure

16529-66-1 Structure
IdentificationBack Directory
[Name]

3-PENTENENITRILE
[CAS]

16529-66-1
[Synonyms]

1-CYANO-2-BUTENE
3-PENTENONITRILE
3-PENTENENITRILE
2-BUTEN-1-YL CYANIDE
(E)-3-Pentenenitrile
trans-3-Pentenonitrile
TRANS-3-PENTENENITRILE
3-Pentenenitrile, (3E)-
3-PENTENENITRILE, PREDOMINANTLY TRANS
3-pentenenitrile, predominately trans
3-Pentenenitrile, predoMinately trans 95%
3-PENTENENITRILE, PRACT. ---LIQUID, D20 0.84, MOSTLY TRANS ISOMER, PURITY 97%---
[EINECS(EC#)]

605-402-5
[Molecular Formula]

C5H7N
[MDL Number]

MFCD00001963
[MOL File]

16529-66-1.mol
[Molecular Weight]

81.12
Chemical PropertiesBack Directory
[Boiling point ]

144-147 °C(lit.)
[density ]

0.842 g/mL at 20 °C(lit.)
[vapor pressure ]

24.9 mm Hg ( 50 °C)
[refractive index ]

n20/D 1.422
[Fp ]

104 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[Appearance]

Colorless to light yellow Liquid
[InChI]

1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
[InChIKey]

UVKXJAUUKPDDNW-NSCUHMNNSA-N
[SMILES]

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

3-Pentenenitrile, (3E)- (16529-66-1)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

10-23/24/25-36/37/38-23-22
[Safety Statements ]

45
[RIDADR ]

UN 3275 6.1/PG 2
[WGK Germany ]

3
[HazardClass ]

6.1(a)
[PackingGroup ]

I
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

trans-3-Pentenenitrile can be used for insecticidal properties against insect pests of stored grains.
[General Description]

The infrared spectra of solid, gaseous and liquid and solid trans 3-pentenenitrile were studied.
Spectrum DetailBack Directory
[Spectrum Detail]

3-PENTENENITRILE(16529-66-1)MS
3-PENTENENITRILE(16529-66-1)1HNMR
3-PENTENENITRILE(16529-66-1)13CNMR
3-PENTENENITRILE(16529-66-1)FT-IR
3-PENTENENITRILE(16529-66-1)IR
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