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8-Bromooctanoic acid

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CAS:17696-11-6
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  • CAS:17696-11-6
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8-Bromooctanoic acid Basic information
Product Name:8-Bromooctanoic acid
Synonyms:8-bromooctanoic;8-BROMO-N-OCTANOIC ACID;8-BROMOOCTANOIC ACID;8-BROMOCAPRYLIC ACID;8-BROMOOCTANOIC ACID 97%;i-bromocaprylic acid;8-Bromooctanoic acid,95%;8-broMo bitterness
CAS:17696-11-6
MF:C8H15BrO2
MW:223.11
EINECS:605-788-5
Product Categories:Aliphatics;Miscellaneous;Organic acids;All Aliphatics;omega-Bromocarboxylic Acids;omega-Functional Alkanols, Carboxylic Acids, Amines & Halides;bc0001
Mol File:17696-11-6.mol
8-Bromooctanoic acid Structure
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)
Fp >110°C
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
pka4.77±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.
InChI1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKeyMGNYXDGTMBBEHE-UHFFFAOYSA-N
SMILESOC(CCCCCCCBr)=O
LogP2.76
CAS DataBase Reference17696-11-6(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
Storage Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsEye Dam. 1
Skin Corr. 1B
MSDS Information
ProviderLanguage
SigmaAldrich English
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ALFA English
8-Bromooctanoic acid Usage And Synthesis
Chemical Propertiesoff-white powder
Uses8-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 suitabilityreagent type: cross-linking reagent
Synthesis
Ethyl 8-bromooctanoate

29823-21-0

8-Bromooctanoic acid

17696-11-6

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 Preparation Products And Raw materials
Raw materialsSulfuric acid-->Potassium permanganate-->Hydrogen bromide-->1,8-Octanediol-->Ethyl 8-bromooctanoate-->Sodium hydroxide-->Water-->Ethanol
Preparation Products8-Aminooctanoic acid-->oxonan-2-one-->1,14-DIBROMOTETRADECANE
Tag: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