DL-2-Methylbutyryl chloride supplier

Name
DL-2-Methylbutyryl chloride
EINECS 260-787-3
CAS No. 57526-28-0
Article Data45
CAS DataBase
Density 1.005 g/cm³
Solubility Reacts with water.
Melting Point
Formula C₅H₉ClO
Boiling Point 116.4 °C at 760 mmHg
Molecular Weight 120.579
Flash Point 25.5 °C
Transport Information UN 2924
Appearance clear colorless to light yellow liquid
Safety 16-26-36/37/39-45
Risk Codes 11-34
Molecular Structure
Hazard Symbols F,C
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;
PSA 17.07000
LogP 1.79790

DL-2-Methylbutyryl chloride 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 %.

Uses of this chemical: The could react with , and obtain the . This reaction needs the reagent of AlCl₃, nitrobenzene, CS₂.

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

Product Name

DL-2-Methylbutyryl chloride

DL-2-Methylbutyryl chloride Specification

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