4-Chloro-1-butanol supplier

Name
4-Chloro-1-butanol
EINECS 213-175-5
CAS No. 928-51-8
Article Data54
CAS DataBase
Density 1.049 g/cm³
Solubility
Melting Point
Formula C₄H₉ClO
Boiling Point 178.5 °C at 760 mmHg
Molecular Weight 108.568
Flash Point 77.2 °C
Transport Information UN 2920 8/PG 2
Appearance clear colourless liquid
Safety 23-24/25-36/37/39-26-16
Risk Codes 10-22-36/37/38-20/21/22-34
Molecular Structure
Hazard Symbols Xi, C, F
Synonyms 1-Chloro-4-butanol;4-Chloro-1-hydroxybutane;4-Chlorobutanol;NSC 10810;Tetramethylene chlorohydrin;w-Chlorobutanol;
PSA 20.23000
LogP 0.99770

Synthetic route

: 41302-05-0
1-chloro-4-tetrahydropyranyloxybutane

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
ammonium cerium(IV) nitrate In alkaline aq. solution; acetonitrile at 70℃; for 2h; pH=8; Decomposition;	86%

: 6962-92-1
4-Chlorobutyl acetate

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol for 4h; Heating;	85.4%

: 109-99-9
tetrahydrofuran

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating;	82%
With hydrogenchloride Heating;	57%
With hydrogenchloride	55%

: 110-63-4
Butane-1,4-diol

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With pyridine; thionyl chloride at 80℃; for 1h;	36%
With hydrogenchloride; bismuth(III) chloride; silica gel at 80℃;
With disulfur dichloride anfangs auf dem Wasserbad, danach auf 150grad;
With pyridine; thionyl chloride at 55℃;
With thionyl chloride In chloroform for 5h; Inert atmosphere;

: 75-21-8
oxirane

: 75-00-3
chloroethane

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With aluminium trichloride

: 109-99-9
tetrahydrofuran

A: 17898-52-1
silicic acid tetrakis-(4-chloro-butyl ester)

B: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With hydrogenchloride; tetrachlorosilane

: 84273-54-1
trichloroacetic 4-chlorobutyl ester

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With sodium hydroxide

: 927-73-1
3-butenyl chloride

A: 2203-34-1
4-chloro-2-butanol

B: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
(i) B2H6, THF, H2O, (ii) NaOH, H2O2; Multistep reaction;

: 927-73-1
3-butenyl chloride

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
(i) bis-(2-methyl-butyl)-borane, THF, H2O, (ii) NaOH, H2O2; Multistep reaction;

: 110-56-5
1,4-dichlorobutane

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
(i) SbF5, SO2, (ii) acetone, (iii) Na2CO3, MeOH; Multistep reaction;

: 41302-05-0
1-chloro-4-tetrahydropyranyloxybutane

A: 928-51-8
4-Chloro-1-butanol

B: 5-hydroxy-pentanoic acid 4-chloro-butyl ester

Conditions

Conditions	Yield
With aluminum oxide; Oxone; water In methanol at 50℃; Yield given; Yields of byproduct given;

: 109-99-9
tetrahydrofuran

: 7647-01-0
hydrogenchloride

: 928-51-8
4-Chloro-1-butanol

: 75-21-8
oxirane

: 7446-70-0
aluminium trichloride

: 75-00-3
chloroethane

: 928-51-8
4-Chloro-1-butanol

...Expand

: 110-86-1
pyridine

: 7719-09-7
thionyl chloride

: 110-63-4
Butane-1,4-diol

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
at 55℃;

...Expand

: 7647-01-0
hydrogenchloride

: 67-56-1
methanol

: 6962-92-1
4-Chlorobutyl acetate

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
at 40℃;

...Expand

<4-chloro--acetate: <4-chloro--acetate

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With hydrogenchloride; methanol at 40℃;

: 110-63-4
Butane-1,4-diol

disulfur dichloride: disulfur dichloride

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
zuletzt auf 150grad;

: 60-29-7
diethyl ether

: 627-00-9
γ-chlorobutyric acid

lithium alanate: lithium alanate

A: 109-99-9
tetrahydrofuran

B: 928-51-8
4-Chloro-1-butanol

C: 71-36-3
butan-1-ol

...Expand

: 10294-34-5
boron trichloride

A: 928-51-8
4-Chloro-1-butanol

B: 98997-54-7
bis(4-chlorobutyloxy)chloroborane

: 1-(4-chlorobutoxy)-2,2,6,6-tetramethylpiperidine

: 928-51-8
4-Chloro-1-butanol

Conditions

Conditions	Yield
With acetic acid; zinc In tetrahydrofuran for 12h; Schlenk technique; Inert atmosphere;

: 110-63-4
Butane-1,4-diol

A: 1190-22-3
1,3-dichlorobutane

B: 928-51-8
4-Chloro-1-butanol

C: 6334-96-9
bis-(4-chlorobutyl)ether

D: 110-56-5
1,4-dichlorobutane

Conditions

Conditions	Yield
With Tributylphosphine oxide; bis(trichloromethyl) carbonate at 50 - 60℃; Reagent/catalyst; Large scale;

...Expand

: 928-51-8
4-Chloro-1-butanol

: 135746-47-3
2-methyldiphenylsilyl-1,3-dithiane

: 4-[1-(methyl-diphenyl-silyl)-2,6-dithiacyclohexyl]-1-butanol

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃;	100%

: 928-51-8
4-Chloro-1-butanol

: 62-53-3
aniline

: 4096-21-3
N-phenylpyrrolidine

Conditions

Conditions	Yield
With iron(III) chloride hexahydrate	100%

: 110-87-2
3,4-dihydro-2H-pyran

: 928-51-8
4-Chloro-1-butanol

: 41302-05-0
1-chloro-4-tetrahydropyranyloxybutane

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane at 20℃;	99%
pyridinium p-toluenesulfonate In dichloromethane for 8h; Ambient temperature;	98%
With pyridinium p-toluenesulfonate In dichloromethane for 7h; Ambient temperature;	97%

: 928-51-8
4-Chloro-1-butanol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 89031-83-4
4-(t-butyldimethylsiloxy)-1-chlorobutane

Conditions

Conditions	Yield
Stage #1: 4-Chloro-1-butanol; tert-butyldimethylsilyl chloride In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: With 1H-imidazole In dichloromethane at 0℃; for 1.5h; Inert atmosphere;	99%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; Substitution;	93%
With 1H-imidazole In dichloromethane at 0 - 20℃; for 4h;	50%

: 928-51-8
4-Chloro-1-butanol

: 98-59-9
p-toluenesulfonyl chloride

: 20999-32-0
4-chlorobutyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 1.5h;	99%
With pyridine In chloroform at 0℃; for 2.5h;	85%
With pyridine at 0℃; for 2h; Inert atmosphere;	79%
With pyridine In tetrahydrofuran for 20h; Ambient temperature;	49%
With pyridine at 0℃; for 3.5h;

: 13411-42-2
2-(trimethylsilyl)-1,3-dithiane

: 928-51-8
4-Chloro-1-butanol

: 78633-24-6
4-(2-Trimethylsilanyl-[1,3]dithian-2-yl)-butan-1-ol

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃;	99%
With lithium diisopropyl amide In tetrahydrofuran at -78℃;	97%

: 928-51-8
4-Chloro-1-butanol

: 96754-03-9
2-(phenylsulfonyl)tetrahydro-2H-pyran

: 41302-05-0
1-chloro-4-tetrahydropyranyloxybutane

Conditions

Conditions	Yield
With sodium hydrogencarbonate; magnesium bromide In tetrahydrofuran Ambient temperature; overnight (15-24 hrs);	97%
With sodium hydrogencarbonate; magnesium bromide In tetrahydrofuran Ambient temperature;	97%

: 928-51-8
4-Chloro-1-butanol

: 58345-96-3
Tetramethylammonium hydrogen carbonate

: 4427-94-5
butylene carbonate

Conditions

Conditions	Yield
In acetonitrile	97%

: 928-51-8
4-Chloro-1-butanol

: 122-04-3
4-nitro-benzoyl chloride

: 58168-12-0
δ-chlorobutyl 4-nitrobenzoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 2h;	96%
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	96%
With triethylamine In dichloromethane at 0 - 20℃; for 2h;	96%
With triethylamine In chloroform for 18h; Ambient temperature;	68%

: 928-51-8
4-Chloro-1-butanol

: 55791-06-5
benzyl mesylate

: 50873-93-3
[(4-chlorobutoxy)methyl]benzene

Conditions

Conditions	Yield
With magnesium oxide; lithium trifluoromethanesulfonate; lithium tetrakis(pentafluorophenyl)borate In dichloromethane; cyclohexane at 20℃; for 24h;	96%

: 928-51-8
4-Chloro-1-butanol

: 5188-07-8
sodium thiomethoxide

: 20582-85-8
4-(methylthio)-1-butanol

Conditions

Conditions	Yield
With sodium iodide In ethanol at 20℃; for 12h;	95%
In water at 25℃; for 48h;	72%
With ethanol
In water

: 928-51-8
4-Chloro-1-butanol

: 814-68-6
acryloyl chloride

: 2206-87-3
4-chloro-1-butanol acrylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃;	95%
With triethylamine In benzene
With triethylamine In chloroform at 0℃;
With triethylamine In chloroform at 10℃; for 12h;

: 928-51-8
4-Chloro-1-butanol

: 115-11-7
isobutene

: 104164-65-0
1-(tert-butoxy)-4-chlorobutane

Conditions

Conditions	Yield
Amberlyst H-15 In hexane	95%
With Amberlyst H-15 In hexane at 20℃; for 15h;	95%
With Amberlyst 15 In hexane at 20℃; for 8h;	95%
With sulfuric acid
Amberlyst H-15 In hexane Ambient temperature; Yield given;

: 928-51-8
4-Chloro-1-butanol

: 63-91-2
L-phenylalanine

: 131326-15-3
L-phenylalanine 4-chlorobutyl ester hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride at 40℃; for 19h;	95%

: 928-51-8
4-Chloro-1-butanol

: 2252-63-3
1-(4-Fluorophenyl)piperazine

: 1156220-20-0
4-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-ol

Conditions

Conditions	Yield
With cesium hydroxide; sodium iodide at 60℃; for 0.05h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	95%

: 928-51-8
4-Chloro-1-butanol

: 1079-66-9
chloro-diphenylphosphine

: 1346017-23-9
4-chlorobutyl diphenylphosphinite

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at -5℃; for 5h;	95%

: 928-51-8
4-Chloro-1-butanol

: 6139-84-0
4-chlorobutyraldehyde

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In dichloromethane; water at 25℃; Electrolysis; Saturated solution;	94%
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -78℃; Swern Oxidation; Inert atmosphere;	90%
With oxalyl dichloride In dimethyl sulfoxide	85%

: 928-51-8
4-Chloro-1-butanol

: 2351-34-0
1-chloro-1-methylsiletane

: 1-(4-Chloro-butoxy)-1-methyl-siletane

Conditions

Conditions	Yield
With urea at 50℃; for 4h;	94%

: 928-51-8
4-Chloro-1-butanol

: 75-50-3
trimethylamine

: 125422-10-8
(4-hydroxy-butyl)-trimethyl-ammonium; chloride

Conditions

Conditions	Yield
In water; acetonitrile at 70℃; for 18h; Inert atmosphere;	94%
In water for 24h; Heating / reflux;	94%
In water; acetonitrile at 70℃; for 14h;

: 142-68-7
TETRAHYDROPYRANE

: 928-51-8
4-Chloro-1-butanol

: 41302-05-0
1-chloro-4-tetrahydropyranyloxybutane

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	94%

: 1072-63-5
1-vinylimidazole

: 928-51-8
4-Chloro-1-butanol

: C9H15N2O(1+)*Cl(1-)

Conditions

Conditions	Yield
In water at 80℃;	94%

: 928-51-8
4-Chloro-1-butanol

: 4779-86-6
sodium 1-buthanethiolate

: 5331-34-0
n-butyl 4-hydroxybutyl sulfide

Conditions

Conditions	Yield
In methanol for 2h; Heating;	92%

: 928-51-8
4-Chloro-1-butanol

: 105-45-3
acetoacetic acid methyl ester

: 91116-20-0
(4'-Chloro-1'-butyl)-3-oxobutanoate

Conditions

Conditions	Yield
With dmap In cyclohexane for 16h; Heating;	92%
With dmap In cyclohexane for 16h; Heating;	92%

: 928-51-8
4-Chloro-1-butanol

: 106-45-6
para-thiocresol

: 27975-48-0
4-(p-tolylthio)butan-1-ol

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 0 - 20℃;	92%

: 616-47-7
1-methyl-1H-imidazole

: 928-51-8
4-Chloro-1-butanol

: 3-(4-hydroxybutyl)-1-methyl-1H-imidazol-3-ium chloride

Conditions

Conditions	Yield
at 80℃; for 4h; Neat (no solvent);	92%
at 80℃; for 4h;	92%
at 80℃; for 5h;	89%
at 80℃; for 24h;

: 928-51-8
4-Chloro-1-butanol

: 60-34-4
methylhydrazine

: 4-(1-methylhydrazinyl)butan-1-ol

Conditions

Conditions	Yield
In neat liquid at 20℃; for 24h; Inert atmosphere;	92%

: 928-51-8
4-Chloro-1-butanol

: 109-92-2
ethyl vinyl ether

: 52500-29-5
1-Chlor-3-(1'-aethoxyaethoxy)-butan

Conditions

Conditions	Yield
With dichloro-acetic acid at 0℃; for 12h; Addition;	90%
With trifluoroacetic acid for 24h; Ambient temperature;	86%
With toluene-4-sulfonic acid at 0℃; for 1.5h;	67%

: 928-51-8
4-Chloro-1-butanol

: 811-51-8
sodium thioethylate

: 18721-62-5
4-(ethylthio)-1-butanol

Conditions

Conditions	Yield
	90%

: 928-51-8
4-Chloro-1-butanol

: 407-25-0
trifluoroacetic anhydride

: 103935-55-3
4-chlorobutanol-1-trifluoromethanesulfonate

Conditions

Conditions	Yield
With dmap; potassium carbonate In dichloromethane at -50℃; for 1h;	90%

: 35386-24-4
1-(2-Methoxyphenyl)piperazine

: 928-51-8
4-Chloro-1-butanol

: 40004-65-7
4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol

Conditions

Conditions	Yield
With cesium hydroxide; sodium iodide at 55℃; for 1h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	90%

4-Chloro-1-butanol Consensus Reports

Reported in EPA TSCA Inventory.

4-Chloro-1-butanol Specification

The 4-Chloro-1-butano is an organic compound with the formula C₄H₉ClO. The IUPAC name of this chemical is 4-chlorobutan-1-ol. With the CAS registry number 928-51-8, it is also named as 1-butanol, 4-chloro-. The product's categories are Omega-Chloroalkanols; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides. Besides, it is a clear colourless liquid, which should be stored in a closed cool and dry place. It can be used as intermediates in organic synthesis.

Physical properties about 4-Chloro-1-butano are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.59; (5)ACD/BCF (pH 7.4): 2.59; (6)ACD/KOC (pH 5.5): 68.79; (7)ACD/KOC (pH 7.4): 68.79; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 26.96 cm³; (14)Molar Volume: 103.4 cm³; (15)Polarizability: 10.68×10^-24cm³; (16)Surface Tension: 32.2 dyne/cm; (17)Density: 1.049 g/cm³; (18)Flash Point: 77.2 °C; (19)Enthalpy of Vaporization: 48.29 kJ/mol; (20)Boiling Point: 178.5 °C at 760 mmHg; (21)Vapour Pressure: 0.296 mmHg at 25°C.

Preparation: this chemical can be prepared by tetrahydrofuran. This reaction will need reagent HCl. The yield is about 55%.

Uses of 4-Chloro-1-butano: it can be used to produce formic acid-(4-chloro-butyl ester). This reaction is a kind of Bromination. It will need reagent benzene.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and can cause burns. When you are using it, wear suitable gloves and eye/face protection, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCO
(2)InChI: InChI=1/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
(3)InChIKey: HXHGULXINZUGJX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
(5)Std. InChIKey: HXHGULXINZUGJX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 100mg/kg (100mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
mouse	LD50	oral	990mg/kg (990mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LIVER: OTHER CHANGES	Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 26, Pg. 17, 1980.

Product Name

4-Chloro-1-butanol

Synthetic route

4-Chloro-1-butanol Consensus Reports

4-Chloro-1-butanol Specification

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