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| CAS No.: | 112-52-7 |
|---|---|
| Name: | 1-Chlorododecane |
| Article Data: | 61 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H25Cl |
| Molecular Weight: | 204.784 |
| Synonyms: | 1-Dodecyl chloride;Dodecyl chloride;Lauryl chloride;NSC 57107;n-Dodecylchloride;n-Lauryl chloride; |
| EINECS: | 203-981-5 |
| Density: | 0.87 g/cm3 |
| Melting Point: | -9.3 °C |
| Boiling Point: | 260.4 °C at 760 mmHg |
| Flash Point: | 104.5 °C |
| Solubility: | 0.0068 g/L (20 °C) in water |
| Appearance: | Clear colorless oily liquid |
| Hazard Symbols: |
 Xn, N, Xi
|
| Risk Codes: | 40-50/53-38 |
| Safety: | 24-36/37-60-61-37 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 5.14610 |
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| Conditions | Yield |
|---|---|
| With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst; | A 97.2% B 143 g |
| With water; chlorine In chlorobenzene at 20 - 65℃; for 3h; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-(dodecylthio)benzonitrile With sulfuryl dichloride; water In chlorobenzene at 20 - 65℃; for 3h; Stage #2: With sodium hydroxide In water at 60 - 65℃; pH=9 - 10; Stage #3: With hydrogenchloride In water at 20 - 30℃; pH=3 - 4; Reagent/catalyst; | A 106 g B 97.2% C 143 g |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; cetyltrimethylammonim bromide for 16h; Heating; | 97% |
| With tetrachloromethane; 2-(2-(diphenylphosphino)ethyl)pyridine In chloroform at 35℃; for 1h; Product distribution; Mechanism; other aliphatic alcohols; var rection conditions and amounts of reagents; | 97% |
| With pyridine; benzyltri(n-butyl)ammonium chloride; benzenesulfonyl chloride for 0.166667h; Reflux; Inert atmosphere; | 96% |
- 112-52-7
1-chlorododecane
| Conditions | Yield |
|---|---|
| at 60℃; for 2h; | 95% |
| at 60℃; for 2h; |
- 51323-71-8
dodecyl mesylate
- 112-52-7
1-chlorododecane
| Conditions | Yield |
|---|---|
| With lithium chloride In tetrahydrofuran for 24h; Inert atmosphere; Reflux; | 94% |
- 24460-74-0
n-dodecyl chloroformate
- 112-52-7
1-chlorododecane
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide at 26 - 32℃; | 91% |
| Conditions | Yield |
|---|---|
| With chromium dichloride; benzaldehyde In N,N-dimethyl-formamide at 30℃; for 16h; | A 7% B 88% |
| Conditions | Yield |
|---|---|
| With chromium dichloride In N,N-dimethyl-formamide at 30℃; for 16h; | A 7% B 88% |
| Conditions | Yield |
|---|---|
| With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 40℃; for 6h; Catalytic behavior; Reagent/catalyst; Temperature; | A n/a B 87% |
| With N,N-dimethyl-formamide In 1,4-dioxane at 20℃; for 20h; | |
| With 1,1'-sulfinylbisbenzene In acetonitrile at 40℃; for 20h; Catalytic behavior; Temperature; Sealed tube; |
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide at 100℃; for 1h; | 81% |
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Specification
The IUPAC name of Dodecane, 1-chloro- is Laurylchloride. With the CAS registry number 112-52-7, it is also named as Lauryl chloride. The product's categories are alkyl chlorides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. It is clear colorless oily liquid which is insoluble in water, and soluble in benzene and ethanol. In addition, this chemical is combustible and may be incompatible with strong oxidizing and reducing agents. And it is also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 6.81; (5)ACD/BCF (pH 5.5): 88850.8; (6)ACD/BCF (pH 7.4): 88850.8; (7)ACD/KOC (pH 5.5): 121291.77; (8)ACD/KOC (pH 7.4): 121291.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 62.49 cm3; (14)Molar Volume: 238 cm3; (15)Polarizability: 24.77×10-24 cm3; (16)Surface Tension: 28.1 dyne/cm; (17)Enthalpy of Vaporization: 47.8 kJ/mol; (18)Vapour Pressure: 0.0199 mmHg at 25°C; (19)Rotatable Bond Count: 10; (20)Exact Mass: 204.164479; (21)MonoIsotopic Mass: 204.164479; (22)Heavy Atom Count: 13; (23)Complexity: 81.2.
Preparation of Dodecane, 1-chloro-: It can be obtained by dodecan-1-ol with PPh3 and Me2SeCl2 in solvent benzene. The reaction time is 4.0 hours. The yield is 80%.
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Uses of Dodecane, 1-chloro-: is used as Surfactants, plasticizers, organic synthesis intermediate. It can react with ethane-1,2-diamine to get N-dodecyl-ethylenediamine. This reaction needs reagent ethanol at temperature of 110 - 120 °C. The reaction time is 1 hours. The yield is 97%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to skin, so people should avoid contact with skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES: ClCCCCCCCCCCCC;
2. InChI: InChI=1/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3.