Product Name

  • Name

    4-CHLOROBUTYRIC ACID

  • EINECS 210-977-7
  • CAS No. 627-00-9
  • Article Data38
  • CAS DataBase
  • Density 1.218 g/cm3
  • Solubility
  • Melting Point 12-16 °C(lit.)
  • Formula C4H7ClO2
  • Boiling Point 310.6 °C at 760 mmHg
  • Molecular Weight 122.551
  • Flash Point 101.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-45
  • Risk Codes 22-34
  • Molecular Structure Molecular Structure of 627-00-9 (4-CHLOROBUTYRIC ACID)
  • Hazard Symbols CorrosiveC
  • Synonyms Butyricacid, 4-chloro- (6CI,7CI,8CI);4-Chlorobutanoic acid;4-Chlorobutyric acid;NSC6391;NSC 76578;g-Chlorobutyricacid;
  • PSA 37.30000
  • LogP 1.09000

Synthetic route

allyl 4-chlorobutyrate
4897-91-0

allyl 4-chlorobutyrate

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
[(cyclopentadienyl)bis(acetonitrile)(triphenylphosphine)ruthenium(II)] hexafluorophosphate In methanol at 25℃; for 12h;97%
4-butanolide
96-48-0

4-butanolide

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With hydrogenchloride; calcium chloride at 100℃; for 72h;80%
With hydrogenchloride
With hydrogenchloride
With hydrogenchloride; dodecatungstosilic acid In water at 20℃; under 760.051 Torr; for 2h; Reagent/catalyst;
thiophene
188290-36-0

thiophene

4-Chlorobutanoyl chloride
4635-59-0

4-Chlorobutanoyl chloride

A

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

B

4-chloro-1-(thien-2-yl)-1-butanone
43076-59-1

4-chloro-1-(thien-2-yl)-1-butanone

Conditions
ConditionsYield
aluminium trichloride; nitromethane In carbon disulfide for 3h; Ambient temperature;A 17%
B 75%
4-Chlorobutyronitrile
628-20-6

4-Chlorobutyronitrile

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With copper(II) sulfate at 240℃; for 1h;65%
2-pyrrolidinon
616-45-5

2-pyrrolidinon

A

but-3-enoic acid
625-38-7

but-3-enoic acid

B

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite
With hydrogenchloride; sodium nitrite
4-chloro-butyric acid ethyl ester
3153-36-4

4-chloro-butyric acid ethyl ester

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With hydrogenchloride
N-nitroso-dihydro-2(3H)-pyrrolidinone
54634-49-0

N-nitroso-dihydro-2(3H)-pyrrolidinone

A

but-3-enoic acid
625-38-7

but-3-enoic acid

B

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With hydrogenchloride
4-Chloro-1-butanol
928-51-8

4-Chloro-1-butanol

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With nitric acid
With chromium(VI) oxide; sulfuric acid
4-(4-nitrophenoxy)butanoic acid
28341-54-0

4-(4-nitrophenoxy)butanoic acid

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

potassium cyanide
151-50-8

potassium cyanide

1,3-chlorobromopropane
109-70-6

1,3-chlorobromopropane

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
Verseifen des entstandenen γ-Chlor-butyronitrils mit konz.Salzsaeure unter Druck und Ueberfuehren der gebildeten Saeuren in γ-Butyrolacton,danach Addition von Chlorwasserstoff;
butyric acid
107-92-6

butyric acid

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide im Dunkeln;
cyclopropanecarboxylic acid
1759-53-1

cyclopropanecarboxylic acid

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With hydrogenchloride; diethyl ether at 0℃;
1,1,4-trichlorobut-1-ene
17219-57-7

1,1,4-trichlorobut-1-ene

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With sulfuric acid
4-Chlorobutanoyl chloride
4635-59-0

4-Chlorobutanoyl chloride

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Conditions
ConditionsYield
With potassium fluoride; acetic acid
4-chloro-butyric acid ethyl ester
3153-36-4

4-chloro-butyric acid ethyl ester

A

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

B

ethene
74-85-1

ethene

Conditions
ConditionsYield
In gas at 360.1 - 390.2℃; under 49 - 209 Torr; Rate constant; Kinetics; Thermodynamic data; E(act);
2-pyrrolidinon
616-45-5

2-pyrrolidinon

hydrogenchloride
7647-01-0

hydrogenchloride

water
7732-18-5

water

NaNO2

NaNO2

A

but-3-enoic acid
625-38-7

but-3-enoic acid

B

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

chlorine
7782-50-5

chlorine

butyric acid
107-92-6

butyric acid

A

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

B

3-chlorobutyric acid
625-68-3, 1951-12-8

3-chlorobutyric acid

C

2-chlorobutanoic acid
4170-24-5

2-chlorobutanoic acid

Conditions
ConditionsYield
Einwirkung von γ-Strahlen.Irradiation;
im Licht (λ: 350-400 nm).Irradiation;
tetrachloromethane
56-23-5

tetrachloromethane

sulfuryl dichloride
7791-25-5

sulfuryl dichloride

butyric acid
107-92-6

butyric acid

dibenzoyl peroxide
94-36-0

dibenzoyl peroxide

A

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

B

3-chlorobutyric acid
625-68-3, 1951-12-8

3-chlorobutyric acid

C

2-chlorobutanoic acid
4170-24-5

2-chlorobutanoic acid

Conditions
ConditionsYield
im Dunkeln;
im Dunkeln;
hydrogenchloride
7647-01-0

hydrogenchloride

4-chloro-butyric acid ethyl ester
3153-36-4

4-chloro-butyric acid ethyl ester

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

butyric acid
107-92-6

butyric acid

A

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

B

3-chloro-butyric acid ; 2-chloro-butyric acid

3-chloro-butyric acid ; 2-chloro-butyric acid

Conditions
ConditionsYield
With chlorine im UV-Licht;
5-Chloro-dihydro-2(3H)-furanone
36603-83-5

5-Chloro-dihydro-2(3H)-furanone

A

4-butanolide
96-48-0

4-butanolide

B

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

C

2-buten-4-olide
497-23-4

2-buten-4-olide

Conditions
ConditionsYield
With palladium on activated carbon at 130℃; under 760.051 Torr; for 4h; Reagent/catalyst; Temperature;
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

1-bromo-6-hexanol
4286-55-9

1-bromo-6-hexanol

C10H18BrClO2

C10H18BrClO2

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 2h;100%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Benzophenone oxime
574-66-3

Benzophenone oxime

diphenylmethanone O-(4-chlorobutanoyl) oxime

diphenylmethanone O-(4-chlorobutanoyl) oxime

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Schlenk technique; Inert atmosphere;100%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

tributylphosphine
998-40-3

tributylphosphine

tri-n-butyl(3-carboxypropyl)phosphonium chloride
64750-78-3

tri-n-butyl(3-carboxypropyl)phosphonium chloride

Conditions
ConditionsYield
at 60℃; for 0.25h; Microwave irradiation; Inert atmosphere;99%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

4-Chlorobutanoyl chloride
4635-59-0

4-Chlorobutanoyl chloride

Conditions
ConditionsYield
With thionyl chloride Heating;97%
With thionyl chloride In benzene for 0.5h; Heating; water-bath;58%
With thionyl chloride
1-Butylimidazole
4316-42-1

1-Butylimidazole

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

1-butyl-3-(3-carboxypropyl)-1H-imidazol-3-ium chloride
1050516-60-3

1-butyl-3-(3-carboxypropyl)-1H-imidazol-3-ium chloride

Conditions
ConditionsYield
at 120℃; for 8h;96%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

4-t-amylphenol
80-46-6

4-t-amylphenol

A

4-(4-tert-pentylphenoxy)-γ-butyric acid

4-(4-tert-pentylphenoxy)-γ-butyric acid

B

phenol
108-95-2

phenol

Conditions
ConditionsYield
A n/a
B 92.6%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

para-xylene
106-42-3

para-xylene

4-(p-xylyl)butyric acid
1453-06-1

4-(p-xylyl)butyric acid

Conditions
ConditionsYield
With aluminium trichloride at 20 - 50℃; for 3h; Friedel-Crafts reaction;92%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

5-methoxy-2-(3-phenylisoxazol-5-yl)phenol
1186130-66-4

5-methoxy-2-(3-phenylisoxazol-5-yl)phenol

4-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)butanoic acid
1350176-24-7

4-(5-methoxy-2-(3-phenylisoxazol-5-yl)phenoxy)butanoic acid

Conditions
ConditionsYield
With potassium carbonate In acetone Williamson type O-alkylation; Reflux;90.65%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

cholesterol
57-88-5

cholesterol

cholesterine γ-Cl-butyrate

cholesterine γ-Cl-butyrate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere;88%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;88%
With dmap; dicyclohexyl-carbodiimide In dichloromethane
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

4-Chloro-3,5-dimethylphenol
88-04-0

4-Chloro-3,5-dimethylphenol

6-chloro-3-(2-chloroethyl)-2-(3-chloropropyl)-5,7-dimethyl-4H-chromen-4-one

6-chloro-3-(2-chloroethyl)-2-(3-chloropropyl)-5,7-dimethyl-4H-chromen-4-one

Conditions
ConditionsYield
With titanium tetrachloride In neat (no solvent) at 100℃; for 6h; Inert atmosphere;86%
5,6-dimethoxy-2-[(pyridin-4-yl)methylene]-1-indanone
4803-74-1

5,6-dimethoxy-2-[(pyridin-4-yl)methylene]-1-indanone

γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

1-(3-carboxypropyl)-4-[(5,6-dimethoxy-1-indanone-2-ylidene)methyl]pyridinium chloride

1-(3-carboxypropyl)-4-[(5,6-dimethoxy-1-indanone-2-ylidene)methyl]pyridinium chloride

Conditions
ConditionsYield
In acetonitrile at 80℃; for 48h;86%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

4-methylphenyl methylsulfide
623-13-2

4-methylphenyl methylsulfide

(p-tolylthio)methyl 4-chlorobutanoate

(p-tolylthio)methyl 4-chlorobutanoate

Conditions
ConditionsYield
With tetrabutylammonium tetrafluoroborate In methanol; acetonitrile at 20℃; for 6h; Inert atmosphere; Electrochemical reaction;85%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1-ethanol
58905-18-3

1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1-ethanol

C14H14Cl3N3O2

C14H14Cl3N3O2

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 13h; Reflux;83%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

C82H125CoN15O15P

C82H125CoN15O15P

C85H132CoN14O17P

C85H132CoN14O17P

Conditions
ConditionsYield
Stage #1: C82H125CoN15O15P With ammonium bromide; zinc In ethanol for 0.333333h; Inert atmosphere;
Stage #2: γ-chlorobutyric acid In ethanol for 3h; Inert atmosphere;
82%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Magnolol
528-43-8

Magnolol

4'-O-(4-chlorobutyl)magnolol

4'-O-(4-chlorobutyl)magnolol

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;81.2%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 4h;81.2%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

phenylmethanethiol
100-53-8

phenylmethanethiol

4-benzylsulfanyl-butyric acid
3679-50-3

4-benzylsulfanyl-butyric acid

Conditions
ConditionsYield
With sodium hydride In various solvent(s) 1.) 0 deg C, 30 min, 2.) r.t., 18 h;81%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

4-azidobutanoic acid
54447-68-6

4-azidobutanoic acid

Conditions
ConditionsYield
With sodium azide In water for 24h; Reflux;81%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

Magnolol
528-43-8

Magnolol

4'-di-(4-chlorobutyl)magnolol

4'-di-(4-chlorobutyl)magnolol

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;80.5%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

potassium phtalimide
1074-82-4

potassium phtalimide

4-phthalimidobutyric acid
3130-75-4

4-phthalimidobutyric acid

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide80%
In water; N,N-dimethyl-formamide80%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

allyl 4-chlorobutyrate
4897-91-0

allyl 4-chlorobutyrate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In hexane; water79%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

triphenylphosphine
603-35-0

triphenylphosphine

(3-carboxy-propyl)triphenylphosphonium chloride
60633-18-3

(3-carboxy-propyl)triphenylphosphonium chloride

Conditions
ConditionsYield
In toluene at 180℃; for 3h;78%
In neat (no solvent) at 180℃; for 2h;61%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

C4H7O2(1+)*F6Sb(1-)

C4H7O2(1+)*F6Sb(1-)

Conditions
ConditionsYield
With silver hexafluoroantimonate In trifluoroacetic acid at 20℃; for 3h;75%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

2-phenyl-acrylic acid methyl ester
1865-29-8

2-phenyl-acrylic acid methyl ester

methyl 6-chloro-2-phenylhexanoate

methyl 6-chloro-2-phenylhexanoate

Conditions
ConditionsYield
With titanium(IV) dioxide In acetonitrile for 48h; Inert atmosphere; Irradiation; Cooling;74%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-(methacryloyloxy)butyrate
1187392-93-3

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-(methacryloyloxy)butyrate

Conditions
ConditionsYield
With sodium iodide; triethylamine In N-methyl-acetamide; water73%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

1,4-bis(piperazin-1-yl)-2,3,5,6-tetrafluorobenzene

1,4-bis(piperazin-1-yl)-2,3,5,6-tetrafluorobenzene

4-(4-{4-[4-(3-carboxy-propyl)-piperazin-1-yl]-2,3,5,6-tetrafluoro-phenyl}-piperazin-1-yl)-butyric acid

4-(4-{4-[4-(3-carboxy-propyl)-piperazin-1-yl]-2,3,5,6-tetrafluoro-phenyl}-piperazin-1-yl)-butyric acid

Conditions
ConditionsYield
With triethylamine Heating;70%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-chlorobutyrate
1187392-90-0

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-chlorobutyrate

sodium methacrylate
5536-61-8

sodium methacrylate

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-(methacryloyloxy)butyrate
1187392-93-3

7-methoxycarbonyl-2-oxohexahydro-3,5-methano-2H-cyclopenta[b]furan-6-yl 4-(methacryloyloxy)butyrate

Conditions
ConditionsYield
With sodium iodide In N-methyl-acetamide; water70%
γ-chlorobutyric acid
627-00-9

γ-chlorobutyric acid

N-methyl-p-toluenesulfonylamide
640-61-9

N-methyl-p-toluenesulfonylamide

N-methyl-N-tosyl-4-chlorobutyramide
1445317-18-9

N-methyl-N-tosyl-4-chlorobutyramide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0 - 20℃;70%

Butanoic acid,4-chloro- Specification

The Butanoic acid,4-chloro- is an organic compound with the formula C4H7ClO2. The IUPAC name of this chemical is 4-chlorobutanoic acid. With the CAS registry number 627-00-9, it is also named as 4-Chloro-n-butyric Acid. The product's categories are omega-Chlorocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids.

Physical properties about Butanoic acid,4-chloro- are: (1)D/LogP: 0.70; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -2.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 26.99 cm3; (14)Molar Volume: 100.5 cm3; (15)Polarizability: 10.7×10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.218 g/cm3; (18)Flash Point: 101.1 °C; (19)Enthalpy of Vaporization: 60.65 kJ/mol; (20)Boiling Point: 310.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000131 mmHg at 25°C.

Preparation of Butanoic acid,4-chloro-: this chemical can be prepared by dihydro-furan-2-one. This reaction will need reagent concentrated aqueous hydrochloric acid.

Butanoic acid,4-chloro- can be prepared by dihydro-furan-2-one

Uses of Butanoic acid,4-chloro-: it can be used to produce 4-chloro-butyryl chloride. It will need reagent thionyl chloride.

Butanoic acid,4-chloro- can be used to produce 4-chloro-butyryl chloride

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCC(=O)O
(2)InChI: InChI=1/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
(3)InChIKey: IPLKGJHGWCVSOG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
(5)Std. InChIKey: IPLKGJHGWCVSOG-UHFFFAOYSA-N

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