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Valeronitrile

CAS No.
110-59-8
Chemical Name:
Valeronitrile
Synonyms
PENTANITRILE;Valeronitril;PENTANONITRILE;N-BUTYL CYANIDE;NITRILE C5;zhnegwujin;1-Cyanbutan;Butylcyanid;CH3(CH2)3CN;VALRONITRILE
CBNumber:
CB2250133
Molecular Formula:
C5H9N
Molecular Weight:
83.13
MDL Number:
MFCD00001974
MOL File:
110-59-8.mol
MSDS File:
SDS
Last updated:2024-12-18 14:07:02

Valeronitrile Properties

Melting point −96 °C(lit.)
Boiling point 139-141 °C(lit.)
Density 0.795 g/mL at 25 °C(lit.)
vapor pressure 7.0 hPa (20 °C)
refractive index n20/D 1.397(lit.)
Flash point 105 °F
storage temp. Store below +30°C.
solubility 10.0g/l
form Liquid
color Clear colorless
Water Solubility 0.1-0.5 g/100 mL at 22.5 ºC
Merck 14,9905
BRN 1736706
Exposure limits NIOSH: IDLH 25 mg/m3
Dielectric constant 17.4(21℃)
Stability Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. Flammable.
InChIKey RFFFKMOABOFIDF-UHFFFAOYSA-N
LogP 1.120
CAS DataBase Reference 110-59-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII X44H3R47D4
NIST Chemistry Reference Pentanenitrile(110-59-8)
EPA Substance Registry System Valeronitrile (110-59-8)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302
Precautionary statements  P210-P233-P240-P241-P242-P301+P312
Hazard Codes  T
Risk Statements  10-25-2017/10/25
Safety Statements  36/37/39-45-16
RIDADR  UN 1992 3/PG 3
WGK Germany  3
RTECS  YV8195000
Autoignition Temperature 520 °C
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29269095
HS Code  29332100
Toxicity LD50 orally in male mice: 2.297 mmol/kg (Tanii)
NFPA 704
2
3 0

Valeronitrile price More Price(22)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.08514 Pentanonitrile for synthesis 110-59-8 100mL $97.2 2024-03-01 Buy
Sigma-Aldrich 155098 Valeronitrile 99.5% 110-59-8 100g $80.1 2024-03-01 Buy
Sigma-Aldrich PHR2614 Valproic Acid Impurity H Pharmaceutical Secondary Standard; Certified Reference Material 110-59-8 100MG $583 2022-05-15 Buy
TCI Chemical V0008 Valeronitrile >98.0%(GC) 110-59-8 25mL $27 2024-03-01 Buy
TCI Chemical V0008 Valeronitrile >98.0%(GC) 110-59-8 500mL $198 2024-03-01 Buy
Product number Packaging Price Buy
8.08514 100mL $97.2 Buy
155098 100g $80.1 Buy
PHR2614 100MG $583 Buy
V0008 25mL $27 Buy
V0008 500mL $198 Buy

Valeronitrile Chemical Properties,Uses,Production

Chemical Properties

Clear liquid

Uses

Valeronitrile is used as building block in organic synthesis. Product Data Sheet

Uses

Solvent.

Uses

Valeronitrile is used in the preparation of valeric acid. It is also used to enhance the nitrilase activity in many strains.

Production Methods

Valeronitrile can be synthesized by dehydration of valeronamide. The nitrile is also found in nature and is a constituent of coal gasification and oil shale processing waste water, sewage wastewater and tobacco smoke.

Definition

ChEBI: Pentanenitrile is a nitrile.

General Description

Clear colorless to yellow liquid.

Air & Water Reactions

Slightly soluble in water.

Reactivity Profile

Nitriles, such as Valeronitrile, 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. Valeronitrile is incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents. .

Health Hazard

Valeronitrile is an irritant and may be harmful by inhalation, ingestion or skin absorption .

Fire Hazard

Valeronitrile is combustible.

Industrial uses

Valeronitrile is used as an industrial solvent and as a chemical intermediate.

Toxicology

Pentanenitrile is toxic to animals, and produces its action by the liberation of cyanide by cytochrome P450. The cyanide is detoxified and excreted in urine as thiocyanate.

Metabolism

As with other aliphatic nitriles, valeronitrile is metabolized in vivo resulting in the liberation of cyanide ion which is responsible for much of the observed toxicity of this compound . Biotransformation of valeronitrile presumably proceeds in a manner similar to that of other aliphatic nitriles with an initial cytochrome P-450 catalyzed oxidation of the nitrile to the cyanohydrin followed by release of the cyanide group from the activated molecule. Cyanide formation was significantly reduced when valeronitrile was incubated with mouse hepatic microsomes in the presence of SKF-525A or carbon monoxide or when microsomes from mice pretreated with chloroform were used . Ethanol pretreatment of mice markedly increases the in vivo and in vitro microsomal oxidation of valeronitrile presumably as a result of increased levels of an ethanol inducible cytochrome P-450 . As with other nitriles, the cyanide released upon biotransformation of valeronitrile is readily converted to thiocyanate in vivo and the latter ion was the major urinary excretion product observed with valero-nitrile in rats . From 18 to 31% of a daily 175 mg/kg dose of valeronitrile was eliminated in the urine as thiocyanate during a 24 h period. In another study , 43.2 and 27.5%, respectively, of an oral or i.p. dose of 0.75 mmol/kg valeronitrile was excreted as thiocyanate in the urine of male Sprague-Dawley rats over a 24 h period.

Purification Methods

Wash the nitrile with half its volume of conc HCl (twice), then with saturated aqueous NaHCO3, dry it with MgSO4 and fractionally distil it from P2O5. [Beilstein 2 H 301, 2 I 131, 2 II 267, 2 III 675, 2 IV 875.]

Structure and conformation

The valeronitrile molecule is flexible and can adopt a number of different conformers, so that it will naturally be a mixture. These conformers are called anti-anti (30%), anti-gauche (46%), gauche-anti, gauche-gauche-cis, and gauche-gauche-trans.

13284-42-9
110-59-8
Synthesis of Valeronitrile from 2-PENTENENITRILE
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View Lastest Price from Valeronitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Valeronitrile pictures 2023-11-20 Valeronitrile
110-59-8
US $0.00 / KG 1KG 99% 50000KG/month Hebei Mojin Biotechnology Co., Ltd
Valeronitrile pictures 2023-07-27 Valeronitrile
110-59-8
US $1.50 / g 1g 99.0% Min 100 Tons Shaanxi Didu New Materials Co. Ltd
Valeronitrile pictures 2022-02-25 Valeronitrile
110-59-8
US $120.00 / KG 1KG 99 5tons Shanxi Naipu Import and Export Co.,Ltd
  • Valeronitrile pictures
  • Valeronitrile
    110-59-8
  • US $0.00 / KG
  • 99%
  • Hebei Mojin Biotechnology Co., Ltd
  • Valeronitrile pictures
  • Valeronitrile
    110-59-8
  • US $1.50 / g
  • 99.0% Min
  • Shaanxi Didu New Materials Co. Ltd
  • Valeronitrile pictures
  • Valeronitrile
    110-59-8
  • US $120.00 / KG
  • 99
  • Shanxi Naipu Import and Export Co.,Ltd
N-VALERONITRILE NITRILE C5 PENTANE NITRILE VALERONITRILE BUTYL CYANIDE 1-Butyl cyanide 1-butylcyanide 1-Cyanbutan 1-Cyanobutane Butane, 1-cyano- Butane,1-cyano- Butylcyanid CH3(CH2)3CN n-Pentanenitrile Valeriansαurenitril VALERONITRILE, 99.5% VALERONITRILE OEKANAL, 250 MG ValeronitrileForSynthesis N-PENTANENITRILE / N-VALERONITRILE / 1-CYANOBUTANE n-Valeronitrile, Butylcyanide VALERONITRILE (BUTYL CYANIDE) pure n-Pentanonitrile (C2H5)4NF(HF)4 Valeronitrile,98% Valeronitrile, 98% 100ML Valeronitrile,Butyl cyanide PENTANONITRILE FOR SYNTHESIS 100 ML Butyl cyanide, Standard for GC,>99.5%(GC) Pentanonitrile for synthesis zhnegwujin Valeronitrile, 97.5% Pentanenitrile (Valeronitrile) N-BUTYL CYANIDE PENTANITRILE PENTANONITRILE Valeronitril VALRONITRILE Veleronitrile Sodium Valproate Impurity 7 Sodium Valproate Impurity H Valproate Sodium Impurity 7 Valproic Acid EP Impurity H Sodium Valoproate EP Impurity H Valproic Acid Impurity 8(Valproic Acid EP Impurity H) Sodium Valproate EP Impurity H 110-59-8 203-781-8 CD3CD2CD2CD2CN CH3CH2CH2CH2CN C4H9CN C5H9N Building Blocks C1 to C5 Cyanides/Nitriles Nitrogen Compounds Organic Building Blocks Building Blocks C1 to C5