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2834-05-1

2834-05-1 Structure

2834-05-1 Structure
IdentificationMore
[Name]

11-Bromoundecanoic acid
[CAS]

2834-05-1
[Synonyms]

11-BROMOHENDECANOIC ACID
11-BROMOUNDECANOIC ACID
11-bromo-undecanoicaci
Undecanoic acid, 11-bromo-
11-bromodecanoic acid
Bromoundecanoicacid
11-BromoundecanoicAcid98+%
11-Bromo-1-Undecanoic Acid
11-Bromoundecanoic acid, tech., 93%
11-Bromdecansure
11-Bromoundecanoic acid,tech., 93%,tech
[EINECS(EC#)]

220-602-9
[Molecular Formula]

C11H21BrO2
[MDL Number]

MFCD00002732
[Molecular Weight]

265.19
[MOL File]

2834-05-1.mol
Chemical PropertiesBack Directory
[Appearance]

faintly beige crystalline solid
[Melting point ]

45-48 °C (lit.)
[Boiling point ]

173-174 °C/2 mmHg (lit.)
[density ]

1.2889 (rough estimate)
[refractive index ]

1.5120 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Chunks
[pka]

4.78±0.10(Predicted)
[color ]

White to beige
[Stability:]

Stable. Incompatible with bases, oxidizing agents, reducing agents.
[Water Solubility ]

insoluble
[BRN ]

1767205
[InChI]

1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
[InChIKey]

IUDGNRWYNOEIKF-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCCCCCCCCBr
[CAS DataBase Reference]

2834-05-1(CAS DataBase Reference)
[NIST Chemistry Reference]

11-Bromoundecanoic acid(2834-05-1)
[EPA Substance Registry System]

2834-05-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

1
[F ]

8
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29159000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Petroleum ether-->Toluene-->Bromine-->Phosphorus tribromide-->AIBN-->Undecenoic acid-->1,2,3,4-Tetrahydronaphthalene-->Hydrogen bromide
[Preparation Products]

11-Hydroxyundecanoic acid-->11-Mercaptoundecanoic acid-->1,10-Dibromodecane-->14-Methylpentadecanoic acid-->11-bromoundecanoyl chloride-->[(11-Fluoroundecyl)oxy]trimethylsilane-->11-(methylamino)- Undecanoic acid
Questions And AnswerBack Directory
[Description]

11-Bromoundecanoic acid is a bromo-modified undecanoic acid derivative. 11-Bromoundecanoic acid was used in the synthesis of 11-phenoxyundecyl phosphate and 11-hydroxytetradecanoic acid. It has been used as a reactant for the preparation of hydroxy-substituted naphthoquinone cations as antiplasmodial agents.
[References]

Navarro, I, G. Fabriás, and F. Camps. "Synthesis of [14, 14, 14-2H3] 12-hydroxytetradecanoic acid and [13,14-2H2] 11-hydroxytetradecanoic acid useful as tracers to study a (11E)-desaturation reaction in Spodoptera littoralis." Bioorganic & Medicinal Chemistry 4.3(1996):439-443.
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Hazard InformationBack Directory
[Chemical Properties]

faintly beige crystalline solid
[Uses]

11-Bromoundecanoic acid was used in the synthesis of 11-phenoxyundecyl phosphate and 11-hydroxytetradecanoic acid.
[Definition]

ChEBI: 11-bromo-undecanoic acid is a medium-chain fatty acid.
[General Description]

11-Bromoundecanoic acid reacts with potassium salt of dimethyl hydantoin to yield 4,4-dimethyl hydantoin-undecanoic acid.
[Synthesis]

Undecenoic acid

112-38-9

11-Bromoundecanoic acid

2834-05-1

1 kg of 10-undecylenic acid having a melting point of 23° C. and a purity of more than 98.5% was used as the raw material, and it was mixed according to the ratio of the mass ratio of 10-undecylenic acid to toluene of 1:3. According to the ratio of the molar ratio of 10-undecylenic acid to hydrogen bromide of 1:1.20, hydrogen bromide gas was continuously passed through from the bottom of the charging tower, while feed liquid was continuously added to maintain the ratio. The reactor temperature was controlled at 18°C by cooling water and the reaction lasted for 1 hour. Upon completion of the reaction, toluene was recovered by distillation. The oil phase is washed 2-3 times and the system is cooled to 15?20°C to promote crystallization. After complete crystallization, vacuum filtration was performed to obtain 1.34 kg of white crystals 11-bromoundecanoic acid.

Spectrum DetailBack Directory
[Spectrum Detail]

11-Bromoundecanoic acid(2834-05-1)MS
11-Bromoundecanoic acid(2834-05-1)1HNMR
11-Bromoundecanoic acid(2834-05-1)13CNMR
11-Bromoundecanoic acid(2834-05-1)IR1
11-Bromoundecanoic acid(2834-05-1)IR2
11-Bromoundecanoic acid(2834-05-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

11-Bromoundecanoic acid, 98%(2834-05-1)
[Sigma Aldrich]

2834-05-1(sigmaaldrich)
[TCI AMERICA]

11-Bromoundecanoic Acid,>97.0%(GC)(T)(2834-05-1)
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