| Identification | More | [Name]
8-Bromooctanoic acid | [CAS]
17696-11-6 | [Synonyms]
8-BROMOCAPRYLIC ACID
8-BROMO-N-OCTANOIC ACID
8-BROMOOCTANOIC ACID
8-bromooctanoic
i-bromocaprylic acid
8-BROMOOCTANOIC ACID 97% | [EINECS(EC#)]
605-788-5 | [Molecular Formula]
C8H15BrO2 | [MDL Number]
MFCD00004430 | [Molecular Weight]
223.11 | [MOL File]
17696-11-6.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white powder | [Melting point ]
35-37 °C (lit.) | [Boiling point ]
147-150 °C/2 mmHg (lit.) | [density ]
1.3542 (rough estimate) | [refractive index ]
1.4613 (estimate) | [Fp ]
>110°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
4.77±0.10(Predicted) | [color ]
White to cream | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. | [Water Solubility ]
Slightly soluble in water. | [BRN ]
1756103 | [InChIKey]
MGNYXDGTMBBEHE-UHFFFAOYSA-N | [LogP]
2.76 | [CAS DataBase Reference]
17696-11-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
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 label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29159000 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Uses]
8-Bromooctanoic acid is used in the synthesis of 8-(N-Methyl-4,4'-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid. | [reaction suitability]
reagent type: cross-linking reagent | [Synthesis]
General procedure for the synthesis of 8-bromooctanoic acid from ethyl 8-bromooctanoate: 1M sodium hydroxide solution (3.98 mL) was added slowly and dropwise to a solution of ethyl 8-bromooctanoate (1.0 g, 3.98 mmol) in ethanol (10 mL). The reaction mixture was stirred at 0°C for 5 hours. Upon completion of the reaction, the reaction mixture was acidified with 1M hydrochloric acid solution and subsequently extracted with ethyl acetate (3 x 10 mL). The organic layers were combined and washed sequentially with saturated sodium bicarbonate solution (2 x 20 mL) and saturated sodium chloride solution (2 x 20 mL). The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford 8-bromooctanoic acid (Compound 17) as a colorless oil 0.86 g in 97% yield. | [References]
[1] Medicinal Chemistry Research, 2012, vol. 21, # 10, p. 3312 - 3320
[2] Medicinal Chemistry, 2013, vol. 9, # 2, p. 294 - 302 |
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