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| CAS No.: | 821-99-8 |
|---|---|
| Name: | 1,9-DICHLORONONANE |
| Molecular Structure: | |
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| Formula: | C9H18Cl2 |
| Molecular Weight: | 197.148 |
| Synonyms: | 1,9-Dichlorononane;NSC 9477; |
| EINECS: | 212-484-2 |
| Density: | 0.986 g/cm3 |
| Boiling Point: | 260 °C at 760 mmHg |
| Flash Point: | 98 °C |
| Solubility: | insoluble in water |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 4.19470 |
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Specification
The Nonane, 1,9-dichloro-, with the CAS registry number 821-99-8 and EINECS registry number 212-484-2, has the systematic name of 1,9-dichlorononane. It is a kind of clear yellow liquid, and the molecular formula of the chemical is C9H18Cl2.
The characteristics of Nonane, 1,9-dichloro- are as followings: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 3131.63; (6)ACD/BCF (pH 7.4): 3131.63; (7)ACD/KOC (pH 5.5): 11062.86; (8)ACD/KOC (pH 7.4): 11062.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 53.44 cm3; (15)Molar Volume: 199.8 cm3; (16)Polarizability: 21.18×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 47.76 kJ/mol; (21)Boiling Point: 260 °C at 760 mmHg; (22)Vapour Pressure: 0.0203 mmHg at 25°C.
Preparation of Nonane, 1,9-dichloro-: This chemical can be prepared by nonane-1,9-diol. The reaction will need reagent PPh3 and ethyl trichloroacetate, and the menstruum acetonitrile. The reaction time is 3 hours with temperature of 10-15°C, and the yield is about 97%.
Uses of Nonane, 1,9-dichloro-: It can react with phenol to produce 1-chloro-9-phenoxynonane. This reaction will need reagent tetrabutylammonium hydrogen sulfate and 3 M aq. NaOH. The reaction time is 16 hours with heating, and the yield is about 61%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable 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: ClCCCCCCCCCCl
(2)InChI: InChI=1/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
(3)InChIKey: JMGRNJZUQCEJDB-UHFFFAOYAP