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| CAS No.: | 112-13-0 |
|---|---|
| Name: | Decanoyl chloride |
| Molecular Structure: | |
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| Formula: | C10H19ClO |
| Molecular Weight: | 190.713 |
| Synonyms: | Caprinoyl chloride;Decanoic acid chloride;Capric acidchloride;n-Decanoyl chloride; |
| EINECS: | 203-938-0 |
| Density: | 0.943 g/cm3 |
| Melting Point: | -87 °C |
| Boiling Point: | 233 °C at 760 mmHg |
| Flash Point: | 106.1 °C |
| Solubility: | 100 mg/L (20 °C ) in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37-29-20/22 |
| Safety: | 26-36/37/39-45-8 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 3.89250 |
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Specification
This chemical is called Decanoyl chloride, and its CAS registry number is 112-13-0. With the molecular formula of C10H19ClO, its product categories are Pharmaceutical Intermediates;Acid Chlorides. In addition, this chemical should be sealed in the cool and dry place, away from oxides and moisture.
Other characteristics of the Decanoyl chloride can be summarised as followings: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 2228.99; (6)ACD/BCF (pH 7.4): 2228.99; (7)ACD/KOC (pH 5.5): 8673.05; (8)ACD/KOC (pH 7.4): 8673.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 53.25 cm3; (15)Molar Volume: 202.1 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.943 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 46.97 kJ/mol; (21)Boiling Point: 233 °C at 760 mmHg; (22)Vapour Pressure: 0.0572 mmHg at 25°C.
Production method of this chemical: The Decanoyl chloride could be obtained by the reactant of decanoic acid. This reaction needs the reagent of SOCl2, and the solvent of benzene. The other condition is heating.
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Uses of this chemical: The Decanoyl chloride could react with thiophene, and obtain the 1-[2]thienyl-decan-1-one. This reaction needs the reagent of aluminium chloride, carbon disulfide.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
2.InChIKey: IPIVAXLHTVNRBS-UHFFFAOYAH