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Cas Database |
| Name |
1,9-Dibromononane |
EINECS | 224-913-0 |
| CAS No. | 4549-33-1 | Density | 1.407 |
| PSA | 0.00000 | LogP | 4.50690 |
| Solubility | N/A | Melting Point |
-2 °C |
| Formula | C9H18Br2 | Boiling Point |
285-288 °C(lit.) |
| Molecular Weight | 286.05 | Flash Point | 113 ºC |
| Transport Information | N/A | Appearance | clear colourless to slightly yellow liquid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
1,9-Dibromononane;NSC 62682; |
Article Data | 22 |
1,9-Dibromononane Synthetic route
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; Cu(tmp)(BINAP)BF4; sodium bromide In N,N-dimethyl-formamide for 24h; Appel Halogenation; UV-irradiation; Inert atmosphere; | 99% |
| With water; hydrogen bromide | |
| With hydrogen bromide |
- 55695-90-4
2-(9-bromononyloxy)tetrahydropyran
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; dichloromethylenedimethyliminium chloride In dichloromethane at 0℃; | 96% |
- 55362-80-6
9-bromononan-1-ol
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| Stage #1: 9-bromononan-1-ol With N,N-dimethylthiourea In dichloromethane at 20℃; Stage #2: With N-Bromosuccinimide In dichloromethane at 20℃; for 20h; | 88% |
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 30℃; for 2h; | 85% |
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 30℃; for 2h; | 82% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 60℃; for 72h; | A 80% B n/a |
| With hydrogen bromide at 150℃; |
- 267005-80-1
9-(4-methoxybenzyloxy)nonan-1-ol
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 30℃; for 1.5h; | 80% |
- 91337-21-2
1,9-dimethoxynonane
- 4549-33-1
1,9-Dibromononane
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 130℃; |
| Conditions | Yield |
|---|---|
| (i) LiAlH4, (ii) aq. HBr; Multistep reaction; | |
| Multi-step reaction with 2 steps 1: sodium; absolute alcohol 2: hydrogen bromide / 150 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium; isoamyl alcohol 2: hydrogen bromide / 150 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium; isoamyl alcohol 2: hydrogen bromide / 150 °C View Scheme |
1,9-Dibromononane Specification
The 1,9-Dibromononane with cas registry number of 4549-33-1 is clear colourless to slightly yellow liquid. Its EINECS registry number is 224-913-0. This chemical belongs to the categories: Bromine Compounds; alpha,omega-Bifunctional Alkanes; alpha,omega-Dibromoalkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. Both its systematic name and IUPAC name are the same which is called 1,9-dibromononane.
The physical properties about this chemical are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 5.26; (5)ACD/BCF (pH 5.5): 5857.16; (6)ACD/BCF (pH 7.4): 5857.16; (7)ACD/KOC (pH 5.5): 17318.17; (8)ACD/KOC (pH 7.4): 17318.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 59.2 cm3; (14)Molar Volume: 203.4 cm3; (15)Surface Tension: 34.8 dyne/cm; (16)Density: 1.405 g/cm3; (17)Flash Point: 139 °C; (18)Enthalpy of Vaporization: 50.45 kJ/mol; (19)Boiling Point: 286.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00453 mmHg at 25°C; (21)Refractive index: 1.496.
Preparation of 1,9-Dibromononane: it can be prepared by 2-(9-bromo-nonyloxy)-tetrahydro-pyran with reagents N, N-dimethylphosgeniminium chloride, tetrabutylammonium bromide and solvent CH2Cl2 at temperature of 0 ℃.
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Uses of 1,9-Dibromononane: this chemical can react with 2-thioxo-2,3-dihydro-1H-pyrimidin-4-one to prepare 2-(9-bromo-nonylsulfanyl)-3H-pyrimidin-4-one by using reagents 0.1N NaOH and solvent Methanol at ambient temperature for 5 days.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCBr;
(2)InChI: InChI=1/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2;
(3)InChIKey: WGAXVZXBFBHLMC-UHFFFAOYAA
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