Product Name

  • Name

    Valeryl chloride

  • EINECS 211-330-1
  • CAS No. 638-29-9
  • Article Data74
  • CAS DataBase
  • Density 1.008 g/cm3
  • Solubility decomposes in water
  • Melting Point -110 °C
  • Formula C5H9ClO
  • Boiling Point 128.4 °C at 760 mmHg
  • Molecular Weight 120.579
  • Flash Point 32.8 °C
  • Transport Information UN 2502 8/PG 2
  • Appearance clear colorless to light yellow liquid
  • Safety 26-36/37/39-45
  • Risk Codes 10-20-35-34
  • Molecular Structure Molecular Structure of 638-29-9 (Valeryl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms Valerylchloride (6CI,7CI,8CI);Pentanoic acid chloride;n-Butanecarbonyl chloride;n-Pentanoyl chloride;Pentanoyl chloride;
  • PSA 17.07000
  • LogP 1.94200

Synthetic route

Hexane-1,2-diol
6920-22-5

Hexane-1,2-diol

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
With tert-butylhypochlorite; lead acetate; dibenzoyl peroxide In toluene at 20℃; for 0.666667h;92%
valeric acid
109-52-4

valeric acid

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
With thionyl chloride70%
With tetrachlorosilane at 50 - 55℃; for 7h;63%
With thionyl chloride zuletzt bei 70-90grad;
valeric acid
109-52-4

valeric acid

A

pentanoic anhydride
2082-59-9

pentanoic anhydride

B

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
With phosphorus trichloride at 40 - 50℃; 4-5h;A n/a
B 67.5%
With phosphorus trichloride at 40 - 50℃; 4-5h;A 14.2%
B 48.7%
4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine
383865-57-4

4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine

A

pentanoic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide

pentanoic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide

B

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
A 48%
B n/a
benzoyl chloride
98-88-4

benzoyl chloride

valeric acid
109-52-4

valeric acid

n-valeryl chloride
638-29-9

n-valeryl chloride

phosgene
75-44-5

phosgene

valeric acid
109-52-4

valeric acid

n-valeryl chloride
638-29-9

n-valeryl chloride

ethylmercury(II) chloride
107-27-7

ethylmercury(II) chloride

acryloyl chloride
814-68-6

acryloyl chloride

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
With lithium aluminium tetrahydride Yield given. Multistep reaction;
pent-2-enoic acid
626-98-2, 13991-37-2, 16666-42-5

pent-2-enoic acid

n-valeryl chloride
638-29-9

n-valeryl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen; palladium on activated charcoal
2: oxalyl dichloride / Inert atmosphere
View Scheme
n-valeryl chloride
638-29-9

n-valeryl chloride

methoxybenzene
100-66-3

methoxybenzene

p-Methoxyvalerophenon
1671-76-7

p-Methoxyvalerophenon

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane for 15h; Ambient temperature;100%
(p-MeOC6H4)2BSbCl6 In dichloromethane for 24h; Ambient temperature;88%
With aluminium trichloride In tetrachloromethane at 0℃; for 2h;87%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

n-valeryl chloride
638-29-9

n-valeryl chloride

1H-1,2,3-benzotriazol-1-yl(n-butyl)methanone
84298-28-2

1H-1,2,3-benzotriazol-1-yl(n-butyl)methanone

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 0.5h; Cooling;100%
With triethylamine In dichloromethane cooling;91%
at 80 - 100℃; for 0.25h;79%
n-valeryl chloride
638-29-9

n-valeryl chloride

1-(2-benzothiophenyl)cyclohexylamine
143603-26-3

1-(2-benzothiophenyl)cyclohexylamine

Pentanoic acid (1-benzo[b]thiophen-2-yl-cyclohexyl)-amide

Pentanoic acid (1-benzo[b]thiophen-2-yl-cyclohexyl)-amide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran for 1h; Ambient temperature;100%
n-valeryl chloride
638-29-9

n-valeryl chloride

2-carbomethoxyaniline
134-20-3

2-carbomethoxyaniline

methyl 2-(valerylamino)benzoate
136304-94-4

methyl 2-(valerylamino)benzoate

Conditions
ConditionsYield
With triethylamine In chloroform at 0℃; for 4h;100%
With potassium carbonate In benzene Heating;82%
n-valeryl chloride
638-29-9

n-valeryl chloride

4-hydroxy-2H-1,4-benzoxazin-3-one
771-26-6

4-hydroxy-2H-1,4-benzoxazin-3-one

4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one

4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 20℃; for 12h;100%
With pyridine for 12h;99%
n-valeryl chloride
638-29-9

n-valeryl chloride

4-hydroxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one
69884-06-6

4-hydroxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

4-valeroyloxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

4-valeroyloxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 20℃; for 12h;100%
1-amino-1-cyanocyclopentane
49830-37-7

1-amino-1-cyanocyclopentane

n-valeryl chloride
638-29-9

n-valeryl chloride

1-cyano-1-n-pentanoylaminocyclopentane
194984-24-2

1-cyano-1-n-pentanoylaminocyclopentane

Conditions
ConditionsYield
With triethylamine In toluene at 20 - 80℃;100%
With triethylamine In dichloromethane
With triethylamine In dichloromethane
Stage #1: 1-amino-1-cyanocyclopentane; n-valeryl chloride With triethylamine In dichloromethane at 5 - 20℃; for 3h;
Stage #2: In water
n-valeryl chloride
638-29-9

n-valeryl chloride

dibenzylamine
103-49-1

dibenzylamine

N,N-dibenzylpentanamide

N,N-dibenzylpentanamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere;100%
With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere;100%
methyl 4-(4-(2-(3-(((1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-2,6-difluorophenethyl)benzoate

methyl 4-(4-(2-(3-(((1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-2,6-difluorophenethyl)benzoate

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 4-(2,6-difluoro-4-(2-(3-(((1R,5S)-8-pentanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)phenethyl)benzoate

methyl 4-(2,6-difluoro-4-(2-(3-(((1R,5S)-8-pentanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)phenethyl)benzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 6h;100%
methyl piperidine-2-carboxylate hydrochloride
32559-18-5

methyl piperidine-2-carboxylate hydrochloride

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 1-pentanoylpiperidine-2-carboxylate

methyl 1-pentanoylpiperidine-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere;100%
(S)-4-Benzyl-2-oxazolidinone
90719-32-7

(S)-4-Benzyl-2-oxazolidinone

n-valeryl chloride
638-29-9

n-valeryl chloride

3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone
143868-89-7

3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone

Conditions
ConditionsYield
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran at -70 - -65℃; for 0.5h; Inert atmosphere;
Stage #2: n-valeryl chloride In tetrahydrofuran at -75 - -65℃; for 1h;		99.9%
With dmap; triethylamine In dichloromethane at 0 - 10℃; for 3h; Large scale;98%
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; Inert atmosphere;
Stage #2: n-valeryl chloride In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;		95%
N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride
482577-59-3

N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 2-(N-((2'-cyanobiphenyl-4-yl)methyl)pentanamido)-3-methylbutanoate
137863-90-2

methyl 2-(N-((2'-cyanobiphenyl-4-yl)methyl)pentanamido)-3-methylbutanoate

Conditions
ConditionsYield
With potassium carbonate; sodium chloride In 5,5-dimethyl-1,3-cyclohexadiene; water at 20 - 28℃; Solvent; Reagent/catalyst;99.2%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 5℃; for 1h;
Stage #1: N-((2'-cyano[1,1'-biphenyl]-4-yl)methyl)-L-valine methyl ester hydrochloride With potassium carbonate In o-xylene; water at 25 - 35℃; for 1.33333h; Industry scale;
Stage #2: n-valeryl chloride In o-xylene at 25 - 35℃; Industry scale;
1-phenyl-2-methylpropane
538-93-2

1-phenyl-2-methylpropane

n-valeryl chloride
638-29-9

n-valeryl chloride

1-(4-isobutylphenyl)pentan-1-one
148367-01-5

1-(4-isobutylphenyl)pentan-1-one

Conditions
ConditionsYield
Stage #1: n-valeryl chloride With aluminium trichloride In dichloromethane at 0℃; for 0.5h;
Stage #2: 1-phenyl-2-methylpropane In dichloromethane at 0℃; for 1h; Friedel-Crafts acylation;		99.1%
Stage #1: 1-phenyl-2-methylpropane; n-valeryl chloride In Petroleum ether at 20℃; for 0.25h;
Stage #2: With trifluorormethanesulfonic acid In Petroleum ether for 10h; Reflux;		79.6%
With sodium hydrogencarbonate; aluminium chloride In dichloromethane
n-valeryl chloride
638-29-9

n-valeryl chloride

aniline
62-53-3

aniline

N-phenylpentanamide
10264-18-3

N-phenylpentanamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2h; Cooling with ice;99%
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere;99%
With benzene
n-valeryl chloride
638-29-9

n-valeryl chloride

methyl salicylate
119-36-8

methyl salicylate

2-hydroxy-5-valeryl-benzoic acid methyl ester

2-hydroxy-5-valeryl-benzoic acid methyl ester

Conditions
ConditionsYield
Stage #1: n-valeryl chloride; methyl salicylate; aluminum (III) chloride In carbon disulfide at 5 - 20℃; for 20h;
Stage #2: With hydrogenchloride In water at 0℃;		99%
With aluminium trichloride; nitrobenzene
4-chlorobenzenesulfonyl chloride
5202-89-1

4-chlorobenzenesulfonyl chloride

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 5-chloro-2-valerylaminobenzoate
136285-60-4

methyl 5-chloro-2-valerylaminobenzoate

Conditions
ConditionsYield
With triethylamine In chloroform at 0℃; for 4h;99%
With sodium hydrogencarbonate; triethylamine In dichloromethane; water61%
2-amino-5-methylbenzoic acid methyl ester
18595-16-9

2-amino-5-methylbenzoic acid methyl ester

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 5-methyl-2-valerylaminobenzoate
136285-53-5

methyl 5-methyl-2-valerylaminobenzoate

Conditions
ConditionsYield
With hydrogenchloride; sodium carbonate; triethylamine In dichloromethane; water99%
With triethylamine In chloroform at 0℃; for 4h;62%
n-valeryl chloride
638-29-9

n-valeryl chloride

3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone
143868-89-7

3-(1-oxopentyl)-4(S)-(phenylmethyl)-2-oxazolidinone

Conditions
ConditionsYield
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h;
Stage #2: n-valeryl chloride In tetrahydrofuran; hexane at 20℃; for 15h;		99%
1-aminocyclopentane-1-carboxamide
17193-28-1

1-aminocyclopentane-1-carboxamide

n-valeryl chloride
638-29-9

n-valeryl chloride

1-(pentanoylamino)cyclopentanecarboxamide
177219-40-8

1-(pentanoylamino)cyclopentanecarboxamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 0 - 20℃;99%
With triethylamine In tetrahydrofuran at 10 - 30℃; for 1h;87.3%
With triethylamine In dichloromethane at 0℃;
(S)-4-Benzyl-2-oxazolidinone
90719-32-7

(S)-4-Benzyl-2-oxazolidinone

n-valeryl chloride
638-29-9

n-valeryl chloride

(R)-3-(1-valeroyl)-4-benzyloxazolidine-2-one

(R)-3-(1-valeroyl)-4-benzyloxazolidine-2-one

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; ethyl acetate99%
Methyl 3-aminothiophene-2-carboxylate
22288-78-4

Methyl 3-aminothiophene-2-carboxylate

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 3-pentanoylaminothiophene-2-carboxylate
150113-51-2

methyl 3-pentanoylaminothiophene-2-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 16h;99%
With pyridine
6-fluoro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

6-fluoro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

n-valeryl chloride
638-29-9

n-valeryl chloride

6-fluoro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
1204325-75-6

6-fluoro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 0 - 20℃; Inert atmosphere;99%
6-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one
13212-63-0

6-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

n-valeryl chloride
638-29-9

n-valeryl chloride

6-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
1204325-77-8

6-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 0 - 20℃; Inert atmosphere;99%
n-valeryl chloride
638-29-9

n-valeryl chloride

8-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

8-chloro-4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one

8-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one
1204325-79-0

8-chloro-4-valeroyloxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 0 - 20℃; Inert atmosphere;99%
(4-phenyl-3'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,4′]bipyridinyl-2′-yl)hydrazine
1254981-35-5

(4-phenyl-3'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,4′]bipyridinyl-2′-yl)hydrazine

n-valeryl chloride
638-29-9

n-valeryl chloride

N'-[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pentanehydrazide
1254981-36-6

N'-[4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pentanehydrazide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 0.166667h;99%
2-amino-5-bromo-N-ethylbenzamide
1263377-68-9

2-amino-5-bromo-N-ethylbenzamide

n-valeryl chloride
638-29-9

n-valeryl chloride

5-bromo-N-ethyl-2-pentanamidobenzamide

5-bromo-N-ethyl-2-pentanamidobenzamide

Conditions
ConditionsYield
Stage #1: 2-amino-5-bromo-N-ethylbenzamide With triethylamine In dichloromethane for 0.166667h; Inert atmosphere;
Stage #2: n-valeryl chloride In dichloromethane at 0 - 20℃;		99%
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;82%
Stage #1: 2-amino-5-bromo-N-ethylbenzamide With triethylamine In dichloromethane Inert atmosphere;
Stage #2: n-valeryl chloride In dichloromethane at 0 - 20℃;		82%
tert-butyl N-[4-[(3-amino-6-bromo-2-chloro-4-quinolyl) amino]butyl]carbamate

tert-butyl N-[4-[(3-amino-6-bromo-2-chloro-4-quinolyl) amino]butyl]carbamate

n-valeryl chloride
638-29-9

n-valeryl chloride

tert-butyl N-[4-[[6-bromo-2-chloro-3-(pentanoylamino)-4-quinolyl]amino]butyl]carbamate

tert-butyl N-[4-[[6-bromo-2-chloro-3-(pentanoylamino)-4-quinolyl]amino]butyl]carbamate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h;99%
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h;99%
With triethylamine In tetrahydrofuran at 25℃; for 2h;99%
With triethylamine In tetrahydrofuran at 0 - 25℃; for 2h;99%
methyl 4′-(((4-chlorophenyl)amino)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 4′-(((4-chlorophenyl)amino)methyl)[1,1′-biphenyl]-2-carboxylate

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 4′-((N-(4-chlorophenyl)pentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 4′-((N-(4-chlorophenyl)pentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere;99%
methyl 3′-fluoro-4′-((phenylamino)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 3′-fluoro-4′-((phenylamino)methyl)[1,1′-biphenyl]-2-carboxylate

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 3′-fluoro-4′-((N-phenylpentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 3′-fluoro-4′-((N-phenylpentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere;99%
methyl 4′-(((4-methoxyphenyl)amino)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 4′-(((4-methoxyphenyl)amino)methyl)[1,1′-biphenyl]-2-carboxylate

n-valeryl chloride
638-29-9

n-valeryl chloride

methyl 4′-((N-(4-methoxyphenyl)pentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

methyl 4′-((N-(4-methoxyphenyl)pentanamido)methyl)[1,1′-biphenyl]-2-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere;99%

Valeryl chloride Consensus Reports

Reported in EPA TSCA Inventory.

Valeryl chloride Standards and Recommendations

DOT Classification:  8; Label: Corrosive

Valeryl chloride Specification

The Valeryl chloride, with the CAS registry number 638-29-9 and EINECS registry number 211-330-1, has the systematic name of pentanoyl chloride. And the molecular formula of this chemical is C5H9ClO. It is a kind of clear colorless to light yellow liquid which is sensitive to moisture, and it belongs to the following product categories: Acid chlorides; Acid Halides; Carbonyl Compounds; Organic Building Blocks.

The physical properties of Valeryl chloride are as following: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.1; (8)ACD/KOC (pH 7.4): 311.1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 30.09 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 11.92×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 32.8 °C; (20)Enthalpy of Vaporization: 36.62 kJ/mol; (21)Boiling Point: 128.4 °C at 760 mmHg; (22)Vapour Pressure: 10.6 mmHg at 25°C.

Preparation and uses of Valeryl chloride: It can be prepared by valeric acid and phosphorus trichloride. And it is usually used as acylating agent in organic synthesis. What's more, it is used as liquid crystal intermediate and medicine intermediate as well.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and harmful by inhalation. It may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCC
(2)InChI: InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
(3)InChIKey: XGISHOFUAFNYQF-UHFFFAOYAR

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