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| CAS No.: | 2623-87-2 |
|---|---|
| Name: | 4-Bromobutyric acid |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7BrO2 |
| Molecular Weight: | 167.002 |
| Synonyms: | Butyric acid, 4-bromo-;4-bromobutanoate;Butanoic acid, 4-bromo-;NSC 99322; |
| EINECS: | 220-083-9 |
| Density: | 1.631 g/cm3 |
| Melting Point: | 31 - 33 °C |
| Boiling Point: | 248.7 °C at 760 mmHg |
| Flash Point: | 111.3 °C |
| Solubility: | slightly soluble in water |
| Appearance: | slightly yellow solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-28A |
| Transport Information: | UN 3261 8/PG 3 |
| PSA: | 37.30000 |
| LogP: | 1.24610 |
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| Conditions | Yield |
|---|---|
| With jones reagent; osmium(VIII) oxide In water; acetone for 20h; Ambient temperature; | 89% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; hydrogen bromide In water for 0.166667h; Microwave irradiation; | 87% |
| With trimethylsilyl bromide; iodine(I) bromide for 12h; Ambient temperature; | 73% |
| With sulfuric acid; hydrogen bromide In water for 12h; Inert atmosphere; Reflux; | 65% |
| Conditions | Yield |
|---|---|
| With water; boron tribromide In dichloromethane at 23℃; for 46h; regioselective reaction; | 67% |
| With hydrogen bromide at 175℃; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 120℃; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; toluene | |
| With hydrogen bromide; Petroleum ether | |
| With hexane; hydrogen bromide; dibenzoyl peroxide |
- 10374-37-5
4-ethoxybutanoic acid
- 2623-87-2
bromobutyric acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid |
- 28341-54-0
4-(4-nitrophenoxy)butanoic acid
- 2623-87-2
bromobutyric acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide Heating; | |
| With hydrogen bromide Hydrolysis; |
| Conditions | Yield |
|---|---|
| at 100℃; im Druckrohr; |
- 10035-10-6, 12258-64-9
hydrogen bromide
- 1759-53-1
cyclopropanecarboxylic acid
- 2623-87-2
bromobutyric acid
| Conditions | Yield |
|---|---|
| at 175℃; |
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Chemistry
IUPAC Name: 4-Bromobutanoic acid
Following is the structure of 4-Bromobutyric acid (CAS NO.2623-87-2):
Molecular Formula:C4H7BrO2
Molecular Weight:167.00
EINECS:220-083-9
Index of Refraction: 1.495
Molar Refractivity: 29.87 cm3
Molar Volume: 102.3 cm3
Density: 1.631 g/cm3
Flash Point: 111.3 °C
Melting Point: 31 - 33 °C
Sensitive: Light Sensitive
Solubility: Slightly soluble
Surface Tension: 45 dyne/cm
Enthalpy of Vaporization: 53.51 kJ/mol
Boiling Point: 248.7 °C at 760 mmHg
Vapour Pressure: 0.00763 mmHg at 25 °C
Appearance of 4-Bromobutyric acid (CAS NO.2623-87-2): Slightly yellow solid
Product Categories: Acids & Esters; Bromine Compounds; omega-Bromocarboxylic Acids;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Bifunctional CrosslinkersCarbonyl Compounds; C1 to C5; Carboxylic Acids; Linkers; Peptide Synthesis
Canonical SMILES: C(CC(=O)O)CBr
InChI: InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey: GRHQDJDRGZFIPO-UHFFFAOYSA-N
Uses
4-Bromobutyric acid(2623-87-2) can be used as pesticide and pharmaceutical intermediates.
Toxicity Data With Reference
4-Bromobutyric acid (CAS NO.2623-87-2) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 3261 8/PG 3
WGK Germany; 3
F: 13
Hazard Note: Corrosive/Light Sensitive
HazardClass: 8
PackingGroup: III
HS Code: 29159080
Specification
4-Bromobutyric acid , its cas register number 2623-87-2. It also can be called 4-Bromobutanoic acid ; and Butyric acid, 4-bromo- .
4-Bromobutyric acid (CAS NO.2623-87-2) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.