8-Bromooctanoic acid Chemical Properties

Melting point:

35-37 °C (lit.)

Boiling point:

147-150 °C/2 mmHg (lit.)

Density 

1.3542 (rough estimate)

refractive index 

1.4613 (estimate)

Flash point:

>110°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

4.77±0.10(Predicted)

form 

Crystalline Powder

color 

White to cream

Water Solubility 

Slightly soluble in water.

BRN 

1756103

Stability:

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

InChIKey

MGNYXDGTMBBEHE-UHFFFAOYSA-N

LogP

2.76

CAS DataBase Reference

17696-11-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

Hazard Note 

Corrosive

HazardClass 

8

PackingGroup 

III

HS Code 

29159000

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

8-Bromooctanoic acid Usage And Synthesis

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

8-Bromooctanoic acid(17696-11-6)Related Product Information

• Ethyl 8-bromooctanoate
• Stannous octoate
• Pentadecafluorooctanoic acid
• ZINC CAPRYLATE
• Octanoic acid
• Stearic acid
• Folic acid
• Mono-caprylin glycerate
• Sodium 2-ethylhexanoate
• Cobalt bis(2-ethylhexanoate)
• Ethyl 2-(Chlorosulfonyl)acetate
• Citric acid
• Ascoric Acid
• 3-Bromoadamantane-1-carboxylic acid
• METHYL 8-BROMOOCTANOATE
• 2-Bromooctanoic acid methyl ester
• ETHYL 2-BROMOOCTANOATE
• 8-BROMO-8-NONENOIC ACID