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| CAS No.: | 626-87-9 |
|---|---|
| Name: | 1,4-Dibromopentane |
| Article Data: | 16 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10 Br2 |
| Molecular Weight: | 229.942 |
| Synonyms: | (RS)-1,4-Dibromopentane;1,4-Dibromopentane; 2,5-Dibromopentane; NSC 8753 |
| EINECS: | 210-967-2 |
| Density: | 1.687 |
| Melting Point: | ?34.4 °C(lit.) |
| Boiling Point: | 98-99 °C25 mm Hg(lit.) |
| Flash Point: | 110 ºC |
| Solubility: | Insoluble in water. |
| Appearance: | clear, colorless to pale yellow liquid. |
| Hazard Symbols: |
|
| Risk Codes: | R22;R36/38 |
| Safety: | 26-36-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.94490 |
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| Conditions | Yield |
|---|---|
| With hydrogen bromide; phosphorus tribromide at 30℃; for 0.666667h; | A 34% B 43% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; hydrogen bromide | |
| With aluminum tri-bromide | |
| With phosphorus tribromide | |
| With hydrogen bromide |
| Conditions | Yield |
|---|---|
| With hydrogen bromide | |
| With hydrogen bromide; calcium chloride | |
| With hydrogen bromide Heating; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100 - 110℃; |
| Conditions | Yield |
|---|---|
| With bromine im direkten Sonnenlicht; |
| Conditions | Yield |
|---|---|
| (i) H2, (ii) aq. HBr; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With bromine In dichloromethane |
- 18423-18-2
5-methoxy-2-pentanol
- 626-87-9
1,4-dibromopentane
| Conditions | Yield |
|---|---|
| With hydrogen bromide |
- 626-87-9
1,4-dibromopentane
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; |
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Chemistry
Molecular Structure of 1,4-Dibromopentane (CAS No.626-87-9):
Molecular Formula: C5H10Br2
Molecular Weight: 229.9409
CAS No: 626-87-9
XLogP3-AA: 2.9
Exact Mass: 229.912879
MonoIsotopic Mass: 227.914926
Topological Polar Surface Area: 0
Heavy Atom Count: 7
Formal Charge: 0
Complexity: 37.1
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: Å2
Index of Refraction: 1.501
Molar Refractivity: 40.63 cm3
Molar Volume: 137.8 cm3
Surface Tension: 33.9 dyne/cm
Density: 1.668 g/cm3
Flash Point: 73.1 °C
Enthalpy of Vaporization: 41.71 kJ/mol
Boiling Point: 198.7 °C at 760 mmHg
Vapour Pressure: 0.502 mmHg at 25°C
Chemical Properties clear colorless to light yellow-brown liquid
IUPAC Name: 1,4-Dibromopentane
Canonical SMILES: CC(CCCBr)Br
InChI: InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
InChIKey: CNBFRBXEGGRSPL-UHFFFAOYSA-N
Product Categories: Alkyl;Halogenated Hydrocarbons;Organic Building Blocks
Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38-36/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R36/38:Irritating to eyes and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3