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| CAS No.: | 57526-28-0 |
|---|---|
| Name: | DL-2-Methylbutyryl chloride |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C5H9ClO |
| Molecular Weight: | 120.579 |
| Synonyms: | Butanoylchloride, 2-methyl-, (?à)-;(DL)-2-Methylbutanoyl chloride;(RS)-2-Methylbutanoyl chloride;(?à)-2-Methylbutyryl chloride;2-Ethylpropanoylchloride;2-Methylbutanoyl chloride;2-Methylbutyric acid chloride;2-Methylbutyryl chloride;dl-2-Methylbutyryl chloride;a-Methylbutyryl chloride; |
| EINECS: | 260-787-3 |
| Density: | 1.005 g/cm3 |
| Boiling Point: | 116.4 °C at 760 mmHg |
| Flash Point: | 25.5 °C |
| Solubility: | Reacts with water. |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2924 |
| PSA: | 17.07000 |
| LogP: | 1.79790 |
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Specification
This chemical is called Butanoyl chloride, 2-methyl-, and its CAS registry number is 57526-28-0. With the molecular formula of C5H9ClO, its molecular weight is 120.58. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Butanoyl chloride, 2-methyl- can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.46; (6)ACD/BCF (pH 7.4): 15.46; (7)ACD/KOC (pH 5.5): 247.07; (8)ACD/KOC (pH 7.4): 247.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 30.05 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 11.91×10-24cm3; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 1.005 g/cm3; (19)Flash Point: 25.5 °C; (20)Enthalpy of Vaporization: 35.48 kJ/mol; (21)Boiling Point: 116.4 °C at 760 mmHg; (22)Vapour Pressure: 18.2 mmHg at 25°C.
Production method of this chemical: The Butanoyl chloride, 2-methyl- could be obtained by the reactant of 2-methyl-butyric acid. This reaction needs the reagent of SOCl2. The yield is 78 %.
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Uses of this chemical: The could react with , and obtain the . This reaction needs the reagent of AlCl3, nitrobenzene, CS2.
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When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep it away from the sources of ignition. 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.SMILES: ClC(=O)C(C)CC
2.InChI: InChI=1/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
3.InChIKey: XRPVXVRWIDOORM-UHFFFAOYAE