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Pentanenitrile,2-propyl-

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Name

Pentanenitrile,2-propyl-

EINECS 236-338-2
CAS No. 13310-75-3 Density 0.811 g/cm3
PSA 23.79000 LogP 2.72638
Solubility N/A Melting Point N/A
Formula C8H15N Boiling Point 193 °C at 760 mmHg
Molecular Weight 125.214 Flash Point 82.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13310-75-3 (2-PROPYLVALERONITRILE) Hazard Symbols N/A
Synonyms

Valeronitrile,2-propyl- (7CI,8CI);2-Propylpentanenitrile;2-Propylvaleronitrile;4-Cyanoheptane;Dipropylacetonitrile;

Article Data 20

Pentanenitrile,2-propyl- Synthetic route

998-95-8

4-chloroheptane

143-33-9

sodium cyanide

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
With tetrakis[tris(dimethylamino)phosphoranylideneamino] phosphonium bromide; tris phosphate In DMF (N,N-dimethyl-formamide) at 110℃; for 6h;89%
110-59-8

pentanonitrile

5340-48-7

4-Cyan-4-propylheptan

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
83.82%
78.2%
124243-25-0

1-<4-(4-Cyanoheptyl)>-2-carbomethoxyhydrazine

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
With sodium cyanide In methanol at 17℃; for 4.7h; electrolysis;79%
110-59-8

pentanonitrile

106-94-5

propyl bromide

A

13310-75-3

di-N-propyl acetonitrile

B

5340-48-7

4-Cyan-4-propylheptan

Conditions
ConditionsYield
With sodium In toluene for 2h; Irradiation;A 78%
B 2%
14978-96-2

1-Methoxycarbonyl-2-(4-heptylidene)hydrazine

143-33-9

sodium cyanide

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
In methanol at 17℃; for 4.7h; after standing for seven days before electrolysis;77%
66546-92-7

methyl 2-cyano-2-propylpentanoate

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
With lithium chloride In water; dimethyl sulfoxide at 150℃; Inert atmosphere;77%
110-59-8

pentanonitrile

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
65.2%
106-94-5

propyl bromide

75-05-8

acetonitrile

A

110-59-8

pentanonitrile

B

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
With sodium In toluene for 2h; Irradiation;A 44%
B 20%
998-93-6

4-bromoheptane

151-50-8

potassium cyanide

13310-75-3

di-N-propyl acetonitrile

110-59-8

pentanonitrile

106-94-5

propyl bromide

13310-75-3

di-N-propyl acetonitrile

Conditions
ConditionsYield
With sodium amide

Pentanenitrile,2-propyl- Specification

The Pentanenitrile,2-propyl- is an organic compound with the formula C8H15N. The IUPAC name of this chemical is 2-Propylpentanenitrile. The CAS registry number of this chemical is 13310-75-3. Besides, its molecular weight is 125.21.

Physical properties about Pentanenitrile,2-propyl- are: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 51.67; (5)ACD/BCF (pH 7.4): 51.67; (6)ACD/KOC (pH 5.5): 586.11; (7)ACD/KOC (pH 7.4): 586.11; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 38.98 cm3; (13)Molar Volume: 154.3 cm3; (14)Polarizability: 15.45×10-24 cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.811 g/cm3; (17)Flash Point: 82.3 °C; (18)Enthalpy of Vaporization: 42.92 kJ/mol; (19)Boiling Point: 193 °C at 760 mmHg; (20)Vapour Pressure: 0.475 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-[4-(4-Cyanoheptyl)]-2-carbomethoxyhydrazine. This reaction will need reagent NaCN and solvent methanol. The reaction time is 4.7 hours with reaction temperature of 17 °C. The yield is about 79%.

Pentanenitrile,2-propyl- can be obtained by 1-[4-(4-Cyanoheptyl)]-2-carbomethoxyhydrazine

Uses of Pentanenitrile,2-propyl-: it can be used to produce 2-Propyl-valeric acid at temperature of 240 °C. It will need reagent NaBO3•4H2O with reaction time of 1 hour. The yield is about 82.5%.

Pentanenitrile,2-propyl- can be used to produce 2-Propyl-valeric acid

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
(2)InChIKey: YCBOPMITSGZJDX-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3
(4)Std. InChIKey: YCBOPMITSGZJDX-UHFFFAOYSA-N

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