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1-Chlorobutane

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Name

1-Chlorobutane

EINECS 203-696-6
CAS No. 109-69-3 Density 0.873 g/cm3
PSA 0.00000 LogP 2.02530
Solubility Insoluble Melting Point -123 °C
Formula C4H9Cl Boiling Point 78.2 °C at 760 mmHg
Molecular Weight 92.5685 Flash Point 12 °F
Transport Information N/A Appearance water white liquid with a sharp odor
Safety 9-16-29 Risk Codes 11
Molecular Structure Molecular Structure of 109-69-3 (1-Chlorobutane) Hazard Symbols FlammableF
Synonyms

Butyl chloride;Chlorobutane;NSC 8419;n-Butyl chloride;n-Chlorobutane;n-Propylcarbinyl chloride;Butane,1-chloro-;

Article Data 278

1-Chlorobutane Synthetic route

71-36-3

butan-1-ol

A

126-73-8

phosphoric acid tributyl ester

B

109-69-3

n-Butyl chloride

Conditions
ConditionsYield
With hydrogenchloride; water; oxygen; copper dichloride at 59.9℃; Product distribution; Mechanism; other alcohols, var. conc. of reagents, var. temperat.;A 100%
B n/a
With phosphan; chlorine Rate constant; Thermodynamic data; Ea, ΔS(excit.); also in the presence of pyridine;
592-34-7

carbonochloridic acid, butyl ester

109-69-3

n-Butyl chloride

Conditions
ConditionsYield
With hexabutylguanidinium chloride at 100℃; for 0.05h;100%
542-69-8

1-iodo-butane

109-69-3

n-Butyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride; trichlorophosphate for 0.5h; Heating; other alkyl and aryl iodides;98%
With mercury dichloride
71-36-3

butan-1-ol

109-69-3

n-Butyl chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 115℃; for 2h; Reagent/catalyst; Temperature;96.9%
With hydrogenchloride; dimethyl sulfoxide In water at 85 - 95℃; for 20h; Temperature; Reagent/catalyst;93.5%
With hydrogenchloride at 75 - 80℃; Concentration;91.5%
71-36-3

butan-1-ol

A

109-69-3

n-Butyl chloride

B

142-96-1

dibutyl ether

Conditions
ConditionsYield
With hydrogenchloride; tetrabutylphosphonium ion; silica gel at 170℃; under 760 Torr;A 95%
B 4 % Chromat.
n-butylbis(dimethylglyoximato)pyridinecobalt(III)

n-butylbis(dimethylglyoximato)pyridinecobalt(III)

A

109-69-3

n-Butyl chloride

B

2386-60-9

perfluoro-1-butanesulfonyl fluoride

C

chlorobis(dimethylglyoximato)pyridinecobalt(III)

chlorobis(dimethylglyoximato)pyridinecobalt(III)

Conditions
ConditionsYield
With Trichloromethanesulfonyl chloride In dichloromethane at 18℃; for 3.5h; Irradiation;A n/a
B 95%
C n/a
2712-93-8

dichlorofluoromethanesulphenyl chloride

106-97-8

n-butane

A

109-69-3

n-Butyl chloride

B

675-63-8

bis(dichlorofluoromethyl)disulfane

C

68409-15-4

2-(Dichloro-fluoro-methylsulfanyl)-butane

Conditions
ConditionsYield
A 8.5%
B 92.4%
C 2.3%
A 8.5%
B 92.4%
C 2.3%
17487-60-4

1,1-dibutoxy-2,2-dichloro-ethene

A

109-69-3

n-Butyl chloride

B

118487-59-5

butoxycarbonyldichloromethanesulfenyl chloride

Conditions
ConditionsYield
With sulfur monochloride In dichloromethane under Ar atmosphere, spontaneous heating to 45 deg C 30 min, 20 deg C 2,5 h;A n/a
B 90%
71-36-3

butan-1-ol

A

126-73-8

phosphoric acid tributyl ester

B

109-69-3

n-Butyl chloride

C

142-96-1

dibutyl ether

Conditions
ConditionsYield
With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃; Kinetics; Product distribution; Mechanism; ΔE(excit.), ΔS(excit.); other reagents, other catalysts;A 90%
B n/a
C n/a
With oxygen; phosphan; copper(l) chloride; copper dichloride at 24.9℃;A 90%
B n/a
C n/a
56-23-5

tetrachloromethane

629-35-6

dibutylmercury

A

mercury(I) chloride

B

109-69-3

n-Butyl chloride

C

67-66-3

chloroform

D

543-63-5

n-butylmercuric chloride

E

mercury

Conditions
ConditionsYield
In neat (no solvent) 150°C, 25 h; further products;A 2%
B 87%
C 105 %
D 7%
E 89%

1-Chlorobutane Specification

1-Chlorobutane, its cas register number is 109-69-3. It also can be called Butyl chloride; n-Butyl chloride; Butane, 1-chloro-; Chlorure de butyle; N-Propylcarbinyl chloride. It is a water white liquid with a sharp odor. It slightly soluble in water. Its vapors are heavier than air. It is highly flammable. It may react with atmospheric moisture over prolonged periods of exposure.  1-Chlorobutane can be used in the manufacture of a variety of organic chemicals.

Physical properties about 1-Chlorobutane are: (1)ACD/LogP: 2.641; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.91; (5)ACD/BCF (pH 7.4): 59.91; (6)ACD/KOC (pH 5.5): 651.58; (7)ACD/KOC (pH 7.4): 651.58; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.396; (10)Molar Refractivity: 25.43 cm3; (11)Molar Volume: 105.947 cm3; (12)Polarizability: 10.081 10-24cm3; (13)Surface Tension: 22.1079998016357 dyne/cm; (14)Density: 0.874 g/cm3; (15)Flash Point: -6.667 °C ; (16)Enthalpy of Vaporization: 30.39 kJ/mol; (17)Boiling Point: 78.211 °C at 760 mmHg; (18)Vapour Pressure: 103.426002502441 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. Keep container in a well-ventilated place;
2. Keep away from sources of ignition - No smoking;
3. Do not empty into drains;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3;
(2)InChIKey=VFWCMGCRMGJXDK-UHFFFAOYSA-N;
(3)SmilesC(CC)CCl;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 8gm/kg (8000mg/kg)   Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979.
mouse LD50 unreported 5600mg/kg (5600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979.
rabbit LDLo skin 20gm/kg (20000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 745, 1969.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2670mg/kg (2670mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 unreported 2200mg/kg (2200mg/kg)   Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979.

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