VALERONITRILE supplier | CasNO.110-59-8

Name
Valeronitrile
EINECS 203-781-8
CAS No. 110-59-8
Article Data166
CAS DataBase
Density 0.795 g/cm³
Solubility water: 0.1-0.5 g/100 mL at 22.5 °C
Melting Point -96 °C(lit.)
Formula C₅H₉N
Boiling Point 141.7 °C at 760 mmHg
Molecular Weight 83.1332
Flash Point 40.6 °C
Transport Information UN 1992 3/PG 3
Appearance Clear liquid
Safety 36/37/39-45-16
Risk Codes 10-25
Molecular Structure
Hazard Symbols T
Synonyms 1-Butyl cyanide;1-Cyanobutane;Butane, 1-cyano-;Butyl cyanide;n-Butyl cyanide;n-Pentanenitrile;n-Valeronitrile;Pentanenitrile;
PSA 23.79000
LogP 1.70018

Synthetic route

: 109-65-9
1-bromo-butane

: 143-33-9
sodium cyanide

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With PEG400 for 6h; Heating;	96%
With methanol
With ethylene glycol
With ethanol; water
With 2-ethoxy-ethanol; potassium iodide

: 542-69-8
1-iodo-butane

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
Stage #1: 2-hydroxy-2-methylpropanenitrile With lithium hydroxide monohydrate In tetrahydrofuran at 50℃; for 1h; Stage #2: 1-iodo-butane In tetrahydrofuran	95.5%

: 110-58-7
1-pentanamine

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With oxygen In water at 30℃; under 760.051 Torr; for 7h; Catalytic behavior; Solvent; Wavelength; Irradiation;	94%
With air; 15 wt% Na2H2[Si(W3O10)4] supported on γ-alumina at 180℃; under 760.051 Torr;
With oxygen In water at 99.84℃; under 22502.3 Torr; Sealed tube; Green chemistry;
With α,α,α-trifluorotoluene; Ru/γ-Al2O3; oxygen In acetonitrile at 33℃; under 760.051 Torr; for 6h; Irradiation; Green chemistry;

: 109-69-3
n-Butyl chloride

: 143-33-9
sodium cyanide

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With PEG400 for 7h; Heating;	92%
With polyethylene glycol

: 110-62-3
pentanal

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; pyrographite; methanesulfonyl chloride at 100℃; for 1.5h;	90%
With ammonium hydroxide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 20℃; for 10h;	90%
With hydroxylamine hydrochloride; iron(II) sulfate In N,N-dimethyl-formamide for 4.5h; Reflux;	90%

: 109-52-4
valeric acid

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With hydroxyammonium sulfate; zinc for 0.35h; Microwave irradiation;	88%
With ammonium carbonate; diphosphorus tetraiodide In carbon disulfide at 20℃; for 9h;	85%
With ammonia; silica gel at 500℃;

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With 8-bromocaffeine; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.0111111h; Microwave irradiation; chemoselective reaction;	88%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; N-tosylimidazole In N,N-dimethyl-formamide for 0.583333h; Reflux;	86%
With acetyl chloride; zinc(II) oxide for 0.5h; Heating;	85%

: pent-2E-enal N,N-dimethylhydrazone

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With pyridine; dihydrogen peroxide; acetic acid; methyltrioxorhenium(VII) In water; acetonitrile for 0.25h;	88%

: 626-97-1
pentamide

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With C36H38Cl6N6Pd3S2 In water; acetonitrile at 80℃; for 6h; Reagent/catalyst;	86%
With Pd3P0.95 In water; acetonitrile at 20℃; for 4h;	70%
With ammonium sulphamate at 200℃;
Stage #1: pentamide With C39H45N2 In acetonitrile at 20℃; Schlenk technique; Glovebox; Inert atmosphere; Stage #2: With phenylsilane In acetonitrile at 20℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube;

: 616-06-8
2-amino-hexanoic acid

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With pyridine; trichloroisocyanuric acid In water	84.2%

: 109-65-9
1-bromo-butane

: 773837-37-9
sodium cyanide

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With polyethylene glycol functionalized magnetic dicationic ionic liquid In water for 0.833333h; Reflux; Green chemistry;	82%

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

: 50450-21-0
dimethylbromosulphonium bromide

A: 110-59-8
pentanonitrile

B: 67-68-5
dimethyl sulfoxide

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 4.5h;	A 81% B n/a

...Expand

: 75-05-8
acetonitrile

: 109-52-4
valeric acid

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium In tetrachloromethane at 150℃; for 6h; Autoclave;	78%

: 67015-06-9
N'-hydroxypentanimidamide

A: 110-59-8
pentanonitrile

B: 626-97-1
pentamide

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water; acetonitrile at 20℃; for 0.666667h;	A 14% B 76%
With tetraethylammonium bromide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 20℃; for 0.666667h;	A 73% B 14%

: 1436-34-6
1,2-Epoxyhexane

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With ammonia; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In water; acetonitrile at 70℃;	76%
With ammonia; iodine In water; acetonitrile at 70℃;	71%

: 109-65-9
1-bromo-butane

: 68897-45-0
N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid

A: 110-59-8
pentanonitrile

B: 6926-43-8
1,1,2,2,3,3-Hexamethylguanidiniumbromid

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2h;	A 75% B n/a

...Expand

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

A: 71-41-0
pentan-1-ol

B: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With N,N,N'N'-tetramethyl-1,3-propanediamine; carbon monoxide; water; hexarhodium hexadecacarbonyl In 2-ethoxy-ethanol at 40℃; under 6080 Torr; for 5h;	A 17% B 71%

: 109-65-9
1-bromo-butane

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With N,N,N',N'-tetramethylguanidine In acetonitrile	71%

: 14090-57-4
Valeraldehyde N,N-dimethylhydrazone

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With aluminum oxide; Oxone for 0.0833333h; microwave irradiation;	68%

: 628-02-4
Caproamide

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With tetraethylammonium bromide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 60℃; for 3.5h;	60%
With sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; sodium phosphate; sodium bromide In water; benzene for 0.75h; Ambient temperature;	55%

bis(O-isopropyl)xanthate: bis(O-isopropyl)xanthate

: azobisvaleronitrile

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
In 1,4-dioxane	60%

: 75917-31-6
ethylazodiphenylmethanol

: 107-13-1
acrylonitrile

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
phenol In benzene at 35 - 50℃; for 16h;	55%

: 110-58-7
1-pentanamine

A: 110-62-3
pentanal

B: 110-59-8
pentanonitrile

C: 65870-64-6
N-pentylidenepentan-1-amine

Conditions

Conditions	Yield
With oxygen In water at 225℃; under 750.075 Torr; for 1h; Catalytic behavior; Mechanism; Time; Flow reactor;	A n/a B 54% C n/a

...Expand

: {(μ-pentylidyne)diiron(Cp(CO))2(μ-CO)}PF6

A: 38117-54-3
cyclopentadienyl iron(II) dicarbonyl dimer

B: {C5H5(CO)Fe}2(μ-CO)(μ-CCHCH2CH2CH3)

C: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With carbon monoxide; trimethylsilylazide In dichloromethane-d2 Flame sealing of Fe-compd. with Me3SiN3 (26°C), p-C6H4(SiMe3)2 and CD2Cl2 under 700 mmHg of CO in NMR tube; NMR identification after 14 h.;	A 20% B 22% C 51%
With carbon monoxide; trimethylsilylazide In dichloromethane-d2 Flame sealing of Fe-compd. with Me3SiN3 (26°C), p-C6H4(SiMe3)2 and CD2Cl2 under 700 mmHg of CO in NMR tube; GC anal. of org. compd.;	A n/a B n/a C 48%

...Expand

: 106-94-5
propyl bromide

: 75-05-8
acetonitrile

A: 110-59-8
pentanonitrile

B: 13310-75-3
di-N-propyl acetonitrile

Conditions

Conditions	Yield
With sodium In toluene for 2h; Irradiation;	A 44% B 20%

...Expand

: 1192-28-5
Cyclopentanone oxime

A: 110-59-8
pentanonitrile

B: 6280-87-1
δ-chlorovaleronitrile

C: 120-92-3
cyclopentanone

Conditions

Conditions	Yield
With phosphorus pentachloride; 1-butyl-3-methylimidazolium Tetrafluoroborate at 80℃; for 2h; Beckmann fragmentation;	A 4.7 % Chromat. B 40.4% C 54.9 % Chromat.

...Expand

: 693-02-7
hex-1-yne

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With trimethylsilylazide; silver carbonate In dimethyl sulfoxide at 100℃; for 12h;	39%

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 123-72-8
butyraldehyde

: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In 1,2-dimethoxyethane at -55℃; for 0.833333h;	38%

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

A: 110-62-3
pentanal

B: 110-59-8
pentanonitrile

Conditions

Conditions	Yield
With chromium dichloride; Fe(meso-tetra-4-sulfonatophenyl)porphyrin; acetate buffer pH = 4.2; mercury; zinc In dichloromethane at 20℃; for 24h;	A 37% B 15%

: 64-17-5
ethanol

: 110-59-8
pentanonitrile

: 18542-63-7
ethyl valerimidate hydrochloride

Conditions

Conditions	Yield
With acetyl chloride at 0 - 20℃; for 17h;	99%
With acetyl chloride at 0 - 20℃; for 19h; Cooling with ice;	99%
With hydrogenchloride at 0℃; for 96h;	76%

: 110-59-8
pentanonitrile

: 626-97-1
pentamide

Conditions

Conditions	Yield
With [RuH(tBu-PNP(-))(CO)]; water In tert-butyl alcohol at 50℃; for 24h;	99%
With aluminum oxide; methanesulfonic acid at 120℃; for 0.25h;	95%
With cesium hydroxide; water; dimethyl sulfoxide at 60℃; for 24h; Schlenk technique; Green chemistry;	90%

: 110-59-8
pentanonitrile

: 109-52-4
valeric acid

Conditions

Conditions	Yield
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h; pH=7.2;	99%
With benzene-1,2-dicarboxylic acid at 250℃; under 7600 Torr; for 0.5h; microwave irradiation;	98%
With benzene-1,2-dicarboxylic acid at 240℃; under 3040 Torr; for 1h;	91%

: 110-59-8
pentanonitrile

: 100-53-8
phenylmethanethiol

: pentanimidothioic acid benzyl ester; hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether at 20℃; for 24h;	99%

: 110-59-8
pentanonitrile

: 142-65-4
n-pentylamine hydrochloride

Conditions

Conditions	Yield
With hydrogen at 130℃; under 750.075 Torr; for 20h; chemoselective reaction;	99%
Stage #1: pentanonitrile With ammonia; hydrogen; cobalt(II) diacetate tetrahydrate; zinc trifluoromethanesulfonate; zinc In methanol at 120℃; under 30003 Torr; for 15h; Sealed tube; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	96%
Stage #1: pentanonitrile With hydrogen; sodium triethylborohydride; cobalt(II) bromide In tetrahydrofuran at 110℃; under 15001.5 Torr; for 24h; Stage #2: With hydrogenchloride In diethyl ether	72%
Multi-step reaction with 2 steps 1: potassium hydroxide / Raney nickel / 1 h / Heating 2: 2.88 g / hydrochloric acid / H2O / 0.25 h View Scheme

: tetramethylammonium tetrachloroplatinate(II)

: 110-59-8
pentanonitrile

: 94598-76-2, 176486-88-7, 176486-89-8
cis-[Pt(CH3(CH2)3CN)2Cl2]

Conditions

Conditions	Yield
In not given excess nitrile;	99%

: 110-59-8
pentanonitrile

: potassium phenyltrifluoborate

: 1009-14-9
phenyl butyl ketone

Conditions

Conditions	Yield
With [2,2]bipyridinyl; palladium(II) trifluoroacetate; water; trifluoroacetic acid In tetrahydrofuran at 80℃; for 36h; Inert atmosphere; Schlenk technique;	99%

: 110-59-8
pentanonitrile

: 104-88-1
4-chlorobenzaldehyde

: N-(4-chlorobenzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; 4-chlorobenzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	99%

: 110-59-8
pentanonitrile

: 587-04-2
3-Chlorobenzaldehyde

: 90389-50-7
N-(3-chlorobenzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; m-Chlorobenzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	99%

: 110-59-8
pentanonitrile

: 939-97-9
4-tert-Butylbenzaldehyde

: N-(4-(tert-butyl)benzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; 4-tert-Butylbenzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	99%

: 4397-53-9
p-benzyloxybenzaldehyde

: 110-59-8
pentanonitrile

: N-(4-(benzyloxy)benzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: p-benzyloxybenzaldehyde; pentanonitrile With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	99%

: 110-59-8
pentanonitrile

: 100-52-7
benzaldehyde

: 90389-36-9
N-benzylpentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; benzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	99%

: 110-59-8
pentanonitrile

: 814-49-3
diethyl chlorophosphate

: 34491-77-5
diethyl 1-cyanobutylphosphonate

Conditions

Conditions	Yield
Stage #1: pentanonitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Metallation; Stage #2: diethyl chlorophosphate In tetrahydrofuran at -78 - 0℃; for 0.25h; Substitution; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane Hydrolysis; Further stages.;	98%

: 110-59-8
pentanonitrile

: 621-77-2
tripentylamine

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In cyclohexane at 25℃; under 760.051 Torr; for 6h;	98%
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran at 50℃; under 1125.11 Torr; for 5h; Catalytic behavior; Solvent;

: 110-59-8
pentanonitrile

: 7321-55-3
2,2-dimethylmalononitrile

: 100-39-0
benzyl bromide

: 2-benzyl-2-propylmalononitrile

Conditions

Conditions	Yield
Stage #1: pentanonitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: 2,2-dimethylmalononitrile In tetrahydrofuran; hexane at 20 - 80℃; for 6h; Inert atmosphere; Stage #3: benzyl bromide In tetrahydrofuran; hexane; N,N-dimethyl-formamide at 80℃; for 16h; Inert atmosphere;	98%

...Expand

: 111-86-4
n-Octylamine

: 110-59-8
pentanonitrile

: 1352347-50-2
N,N-diamyloctylamine

Conditions

Conditions	Yield
With palladium 10% on activated carbon; ammonium acetate; hydrogen In methanol at 20℃; under 760.051 Torr; for 29h;	97%

: 75-77-4
chloro-trimethyl-silane

: 110-59-8
pentanonitrile

: 2-(trimethylsilyl)pentanenitrile

Conditions

Conditions	Yield
Stage #1: pentanonitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -78 - 25℃; for 2h; Inert atmosphere;	97%

: 110-59-8
pentanonitrile

: 109-51-3
pentanimidamide

Conditions

Conditions	Yield
Stage #1: pentanonitrile With hydrogenchloride In ethanol at 20℃; Stage #2: With ammonia In ethanol at 20℃; for 0.166667h;	96.1%
With ammonia; potassium amide

: 110-59-8
pentanonitrile

: 66281-98-9
5-n-butyl-1H-tetrazole

Conditions

Conditions	Yield
With sodium azide; ammonium chloride In N,N-dimethyl-formamide at 135℃; for 68h;	96%
With sodium azide at 120℃; for 1.25h;	91%
With sodium azide at 130℃; for 0.883333h; Catalytic behavior;	90%

: 67-56-1
methanol

: 110-59-8
pentanonitrile

: 57246-71-6
methyl pentanimidate

Conditions

Conditions	Yield
Stage #1: methanol; pentanonitrile With hydrogenchloride at -10 - 15℃; under 1103.36 - 1471.14 Torr; for 30 - 33h; Stage #2: With ammonia In methanol at 20 - 30℃; for 3h; pH=8 - 9;	96%
With hydrogenchloride
With hydrogenchloride In dibutyl ether at 4℃; for 144h; Addition;	190.8 g

: 110-59-8
pentanonitrile

: 17435-72-2
ethyl 2-bromomethyl-2-propenoate

: 2-(2-Butyl-4-methylene-5-oxo-pyrrolidin-2-ylmethyl)-acrylic acid ethyl ester

Conditions

Conditions	Yield
With zinc In tetrahydrofuran for 2h; Heating;	96%

: 110-59-8
pentanonitrile

: 107428-05-7
dimethyl 2,2-di(but-2-yn-1-yl)malonate

: 1325229-33-1
dimethyl 3-butyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6,6-dicarboxylate

Conditions

Conditions	Yield
With 1,3-bis-(diphenylphosphino)propane; ferrous iodide; zinc In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; regioselective reaction;	96%

: 91-01-0
1,1-Diphenylmethanol

: 110-59-8
pentanonitrile

: 10253-98-2
N-diphenylmethylpentanamide

Conditions

Conditions	Yield
With silica-bonded N-propylsulphamic acid In neat (no solvent) at 80℃; for 0.75h; Ritter Amidation; Green chemistry;	96%
With aluminum(III) hydrogen sulfate In nitromethane at 100℃; for 2h; Ritter Amidation;	90%

: 110-59-8
pentanonitrile

: 17447-60-8
dimethyl 2-vinylcyclopropane-1,1-dicarboxylate

: 1519050-34-0
dimethyl 2-butyl-5-vinyl-4,5-dihydro-3H-pyrrole-3,3-dicarboxylate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 0 - 25℃; for 0.0833333h;	96%

: 110-59-8
pentanonitrile

: 772-31-6
cyclopropyl(4-fluorophenyl)methanone

: C15H20FNO2

Conditions

Conditions	Yield
With tributylphosphine; boron trifluoride diethyl etherate; water; copper(I) bromide In nitromethane at 85℃; for 18h;	96%

: 110-59-8
pentanonitrile

: 89-98-5
2-chloro-benzaldehyde

: N-(2-chlorobenzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; 2-chloro-benzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	96%

: 110-59-8
pentanonitrile

: 123-11-5
4-methoxy-benzaldehyde

: N-(4-methoxybenzyl)pentan-1-aminium chloride

Conditions

Conditions	Yield
Stage #1: pentanonitrile; 4-methoxy-benzaldehyde With hydrogen In 2-methyltetrahydrofuran at 100℃; under 11251.1 Torr; for 20h; High pressure; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	96%

VALERONITRILE Toxicity Data With Reference

RTECS#: CAS# 110-59-8: YV8195000
LD50/LC50: RTECS:
CAS# 110-59-8: Oral, mouse: LD50 = 191 mg/kg;
Carcinogenicity: Valeronitrile - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information.

VALERONITRILE Consensus Reports

Reported in EPA TSCA Inventory.

VALERONITRILE Specification

1. Introduction of VALERONITRILE

The VALERONITRILE, with its CAS NO 110-59-8, is a kind of Clear liquid. It has synonyms of 1-Butyl cyanide;1-Cyanobutane;Butane, 1-cyano-;Butyl cyanide;n-Butyl cyanide;n-Pentanenitrile;n-Valeronitrile and Pentanenitrile. VALERONITRILE should be stored in shady and cool warehouse and mainly used as intermediates of pesticide and organic synthesis, extraction agent.

2. Properties of VALERONITRILE

(1) Molecular Weight 83.13166 [g/mol] (2) Molecular Formula C5H9N (3) XLogP3 1.1
(4) H-Bond Acceptor 1 (5) Rotatable Bond Count 2 (6) Exact Mass 83.073499
(7) MonoIsotopic Mass 83.073499 (8) Topological Polar Surface Area 23.8 (9) Heavy Atom Count 6
(10) Complexity 57.6 (11) Covalently-Bonded Unit Count 1 (12) Feature 3D Acceptor Count 1
(13) Feature 3D Hydrophobe Count 1 (14) Effective Rotor Count 2 (15)Conformer Sampling RMSD 0.4
(16) CID Conformer Count 8

3. Structure descriptors of VALERONITRILE

IUPAC Name: pentanenitrile

InChI: InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3

InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-N

Canonical SMILES : CCCCC#N

4. Safety information of VALERONITRILE

Hazard Codes Toxic
Risk Statements 10-25
Safety Statements 36/37/39-45-16
RIDADR UN 1992 3/PG 3
WGK Germany 3
RTECS YV8195000
HazardClass 3
PackingGroup III

5. Toxicity data of VALERONITRILE

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	oral	191mg/kg (191mg/kg)	Archives of Toxicology. Vol. 55, Pg. 47, 1984.

Product Name

Valeronitrile

Synthetic route

VALERONITRILE Toxicity Data With Reference

VALERONITRILE Consensus Reports

VALERONITRILE Specification

Related Products

Hot Products