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1,9-Nonanedithiol

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Name

1,9-Nonanedithiol

EINECS 222-482-3
CAS No. 3489-28-9 Density 0.938 g/cm3
PSA 77.60000 LogP 3.57670
Solubility insoluble Melting Point -17.5oC
Formula C9H20S2 Boiling Point 279.4 °C at 760 mmHg
Molecular Weight 192.39 Flash Point 101.7 °C
Transport Information N/A Appearance Colorless - light yellow liquid. With a stench.
Safety 26-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 3489-28-9 (1,9-Nonanedithiol) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1,9-Dimercaptononane;NSC 65658;Nonane-1,9-dithiol;Nonamethylene dimercaptan;

 

1,9-Nonanedithiol Specification

The 1,9-Nonanedithiol, with the CAS registry number 3489-28-9 and EINECS registry number 222-482-3, has the systematic name of nonane-1,9-dithiol. It is a kind of air sensitive chemical, and the molecular formula of the chemical is C9H20S2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 50.6 Å2; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 59.53 cm3; (9)Molar Volume: 205.1 cm3; (10)Polarizability: 23.6×10-24cm3; (11)Surface Tension: 33.5 dyne/cm; (12)Density: 0.937 g/cm3; (13)Flash Point: 101.7 °C; (14)Enthalpy of Vaporization: 49.72 kJ/mol; (15)Boiling Point: 279.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00684 mmHg at 25°C.

Uses of 1,9-Nonanedithiol: It can react with 4,4'-Bis-brommethyl-benzophenon to produce 2,12-Dithia[1.13]paracyclophan-20-on. This reaction will need reagent Cs2CO3, and the menstruum toluene and ethanol. The reaction time is 44 hour with heating, and the yield  is about 75%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin and harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: SCCCCCCCCCS
(2)InChI: InChI=1/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
(3)InChIKey: GJRCLMJHPWCJEI-UHFFFAOYAO

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