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| CAS No.: | 2067-33-6 |
|---|---|
| Name: | 5-Bromovaleric acid |
| Article Data: | 40 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H9BrO2 |
| Molecular Weight: | 181.029 |
| Synonyms: | Valeric acid, 5-bromo- (6CI,7CI,8CI);1-Bromo-4-carboxybutane;5-Bromo-1-pentanoic acid;5-Bromopentanoic acid;Pentanoic acid, 5-bromo-;d-Bromovaleric acid; |
| EINECS: | 218-185-3 |
| Density: | 1.522 g/cm3 |
| Melting Point: | 38 -40 °C |
| Boiling Point: | 265.5 °C at 760 mmHg |
| Flash Point: | 114.4 °C |
| Solubility: | Soluble in ethanol. Insoluble in water. |
| Appearance: | yellowish to light brown crystals or cryst. powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3261 |
| PSA: | 37.30000 |
| LogP: | 1.63620 |
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| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; for 3h; Schlenk technique; | 95% |
| With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; under 760.051 Torr; for 3h; Catalytic behavior; Solvent; Schlenk technique; | 95% |
- 2067-33-6
5-bromopentanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium bromide In water at 90 - 95℃; for 8h; Temperature; Concentration; | 88.9% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; hydrogen bromide In water for 0.166667h; Microwave irradiation; | 85% |
| With sulfuric acid; water; hydrogen bromide | |
| With hydrogen bromide |
- 123-91-1
1,4-dioxane
- 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one
A
- 2067-33-6
5-bromopentanoic acid
B
- 91034-94-5
β-(β'-bromoethoxy)ethyl 4-bromovalerate
| Conditions | Yield |
|---|---|
| With hydrogen bromide In water 1) room temp. 1h; 2) 80 degC, 1,5h; 3) room temp. 12h; | A 64.12% B 20.24% |
- 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one
A
- 2067-33-6
5-bromopentanoic acid
B
- 91034-94-5
β-(β'-bromoethoxy)ethyl 4-bromovalerate
| Conditions | Yield |
|---|---|
| With hydrogen bromide In 1,4-dioxane; water 1) room temp. 1 h; 2) 80 deg C, 1,5 h; 3) room temp. 12 h; | A 64.12% B 20.24% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide for 17h; Heating; | 38% |
| With hydrogen bromide | |
| With hydrogen bromide | |
| Multi-step reaction with 2 steps 1: potassium hydroxide 2: water; hydrobromic acid View Scheme | |
| Multi-step reaction with 2 steps 2: water; hydrobromic acid View Scheme |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; dibenzoyl peroxide | |
| With ascaridole; hexane; hydrogen bromide |
- 13392-69-3
valeric acid
- 2067-33-6
5-bromopentanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; hydrogen bromide | |
| With sulfuric acid; hydrogen bromide Cooling with ice; Heating; |
| Conditions | Yield |
|---|---|
| With water; hydrogen bromide |
| Conditions | Yield |
|---|---|
| With water; hydrogen bromide |
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Chemistry
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IUPAC Name: 5-Bromopentanoic acid
Molecular Formula: C5H9BrO2
Molecular Weight: 181.03 g/mol
SMILES: C(CCCBr)C(O)=O
InChI: InChI=1/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
EINECS: 218-185-3
Product Categories: Organic acids;Acids & Esters; Bromine Compounds; omega-Bromocarboxylic Acids; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; C1 to C5; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.492
Molar Refractivity: 34.5 cm3
Molar Volume: 118.8 cm3
Polarizability: 13.68×10-24 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.522 g/cm3
Flash Point: 114.4 °C
Enthalpy of Vaporization: 55.42 kJ/mol
Boiling Point: 265.5 °C at 760 mmHg
Melting Point: 38-40 °C(lit.)
Vapour Pressure of 5-Bromovaleric acid (CAS NO.2067-33-6): 0.00264 mmHg at 25 °C
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN3261
WGK Germany: 3
HazardClass: 8
PackingGroup of 5-Bromovaleric acid (CAS NO.2067-33-6): III
Specification
5-Bromovaleric acid (CAS NO.2067-33-6), its Synonyms are 5-Bromopentanoic acid ; Valeric acid, 5-bromo- ; delta-Bromovaleric acid ; Pentanoic acid, 5-bromo- . It is yellowish to light brown crystals or cryst. powder.