CAS No.4224-62-8,6-CHLORO-N-HEXANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4224-62-8
Name:	6-CHLORO-N-HEXANOIC ACID
Article Data:	2

Formula:	C₆H₁₁ClO₂
Molecular Weight:	150.605
Synonyms:	6-Chlorocaproicacid;6-Chlorohexanoic acid;e-Chlorocaproic acid;
Density:	1.127 g/cm³
Melting Point:	26 °C
Boiling Point:	254.4 °C at 760 mmHg
Flash Point:	107.6 °C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	37.30000
LogP:	1.87020

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Specification

The Hexanoic acid,6-chloro-, with the CAS registry number 4224-62-8, is also known as 6-Chlor-hexansaeure. It belongs to the product categories of Organic Acids; Omega-Chlorocarboxylic Acids; Omega-Functional Alkanols; Carboxylic Acids; Amines & Halides. This chemical's molecular formula is C₆H₁₁ClO₂ and molecular weight is 150.6. What's more, both its IUPAC name and systematic name are the same which is called 6-Chlorohexanoic acid.

Physical properties about Hexanoic acid,6-chloro- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.27; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 36.25 cm³; (15)Molar Volume: 133.5 cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.127 g/cm³; (18)Flash Point: 107.6 °C; (19)Enthalpy of Vaporization: 54.15 kJ/mol; (20)Boiling Point: 254.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00536 mmHg at 25 °C; (22)Melting Point: 26 °C.

Preparation of Hexanoic acid,6-chloro-: this chemical can be prepared by 6-Chloro-hexanenitrile.This reaction needs reagent HCl, solvent Acetic acid and other condition of heating for 6 hours. The yield is 88 %.

Uses of Hexanoic acid,6-chloro-: (1) it is used as intermediate; (2) it is used to produce other chemicals. For example, it is used to produce 6-Chloro-hexanoic acid ethyl ester. The reaction occurs with reagents Sodium bicarbonate, Tetrabutylammonium hydrogensulfate and solvent CH₂Cl₂ at temperature of 20-22 °C for 30 min. The yield is 80 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCCCCC(=O)O
(2) InChI: InChI=1/C6H11ClO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
(3) InChIKey: XWWKSLXUVZVGSP-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3080mg/kg (3080mg/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.