2,2-DI-N-PROPYLACETYL CHLORIDE

The Pentanoyl chloride,2-propyl-, with the CAS registry number 2936-08-5, is also known as 2-N-Propyl-N-valeroyl chloride. Its EINECS registry number is 220-914-5. This chemical's molecular formula is C₈H₁₅ClO and molecular weight is 162.66. Its systematic name is called 2-propylpentanoyl chloride.

Physical properties of Pentanoyl chloride,2-propyl-: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 251.56; (6)ACD/BCF (pH 7.4): 251.56; (7)ACD/KOC (pH 5.5): 1819.66; (8)ACD/KOC (pH 7.4): 1819.66; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.431; (12)Molar Refractivity: 43.94 cm³; (13)Molar Volume: 169.4 cm³; (14)Surface Tension: 28.4 dyne/cm; (15)Density: 0.959 g/cm³; (16)Flash Point: 67.2 °C; (17)Enthalpy of Vaporization: 42.05 kJ/mol; (18)Boiling Point: 184.3 °C at 760 mmHg; (19)Vapour Pressure: 0.739 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-propyl-valeric acid. This reaction is a kind of Chlorination. This reaction will need reagent SOCl₂.

Uses of Pentanoyl chloride,2-propyl-: it can be used to produce 1,2-bis-(2-propyl-valerylamino)-ethan. This reaction will need reagent pyridine.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C1C(C(C(=O)O1)O)O)O)O
(2)Isomeric SMILES: C([C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O
(3)InChI: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1
(4)InChIKey: SXZYCXMUPBBULW-TXICZTDVSA-N