4-Methylvaleryl chloride supplier

Name
4-Methylvaleryl chloride
EINECS 253-801-4
CAS No. 38136-29-7
Article Data56
CAS DataBase
Density 0.986 g/cm³
Solubility
Melting Point
Formula C₆H₁₁ClO
Boiling Point 140.4 °C at 760 mmHg
Molecular Weight 134.606
Flash Point 41.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methylpentanoylchloride;4-Methylvaleric acid chloride;4-Methylvaleroyl chloride;4-Methylvaleryl chloride;Isocaproyl chloride;Isohexanoyl chloride;g-Methylvaleroyl chloride;g-Methylvaleryl chloride;
PSA 17.07000
LogP 2.18800

4-Methylvaleryl chloride Specification

The 4-Methylvaleryl chloride with the cas number 38136-29-7 is also called Pentanoyl chloride,4-methyl-. Its EINECS registry number is 253-801-4. The molecular formula is C₆H₁₁ClO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.17; (6)ACD/BCF (pH 7.4): 39.17; (7)ACD/KOC (pH 5.5): 480.71; (8)ACD/KOC (pH 7.4): 480.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 34.68 cm³; (15)Molar Volume: 136.4 cm³; (16)Polarizability: 13.74×10^-24cm³; (17)Surface Tension: 27.2 dyne/cm; (18)Enthalpy of Vaporization: 37.76 kJ/mol; (19)Vapour Pressure: 6.15 mmHg at 25°C.

Preparation: This chemical can be prepared by 4-methyl-pentanoic acid. This reaction needs reagent SOCl₂ at temperature of 50 °C.

Uses: This chemical can react with methylbenzene to product 4-methyl-1-p-tolyl-pentan-1-one. This reaction needs reagent AlCl₃.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCC(C)C
(2)InChI: InChI=1/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
(3)InChIKey: SVWCVXFHTHCJJB-UHFFFAOYAJ

Product Name

4-Methylvaleryl chloride

4-Methylvaleryl chloride Specification

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