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| CAS No.: | 109-69-3 |
|---|---|
| Name: | 1-Chlorobutane |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9Cl |
| Molecular Weight: | 92.5685 |
| Synonyms: | Butyl chloride;Chlorobutane;NSC 8419;n-Butyl chloride;n-Chlorobutane;n-Propylcarbinyl chloride;Butane,1-chloro-; |
| EINECS: | 203-696-6 |
| Density: | 0.873 g/cm3 |
| Melting Point: | -123 °C |
| Boiling Point: | 78.2 °C at 760 mmHg |
| Flash Point: | 12 °F |
| Solubility: | Insoluble |
| Appearance: | water white liquid with a sharp odor |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 9-16-29 |
| PSA: | 0.00000 |
| LogP: | 2.02530 |
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| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| With hexabutylguanidinium chloride at 100℃; for 0.05h; | 100% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; trichlorophosphate for 0.5h; Heating; other alkyl and aryl iodides; | 98% |
| With mercury dichloride |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetrabutylphosphonium ion; silica gel at 170℃; under 760 Torr; | A 95% B 4 % Chromat. |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
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- Total:35 Page 1 of 1 1
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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. |