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111-56-8

111-56-8 Structure

111-56-8 Structure
IdentificationBack Directory
[Name]

2-BROMODODECANOIC ACID
[CAS]

111-56-8
[Synonyms]

2-BROMOLAURIC ACID
2-bromododecanoate
2-bromo-dodecanoicaci
2-Bromolauric acid,98%
2-BROMODODECANOIC ACID
2-Bromododecanoic acid >=98.0%
2-Bromolauric acid2-Bromododecanoic acid
[EINECS(EC#)]

203-882-7
[Molecular Formula]

C12H23BrO2
[MDL Number]

MFCD00021693
[MOL File]

111-56-8.mol
[Molecular Weight]

279.21
Chemical PropertiesBack Directory
[Appearance]

off-white to slightly brown crystalline
[Melting point ]

30-32 °C
[Boiling point ]

157-159 °C (2 mmHg)
[density ]

1.2688 (rough estimate)
[refractive index ]

1.4820 (estimate)
[storage temp. ]

2-8°C
[solubility ]

methanol: soluble1g/10 mL, clear, colorless
[form ]

solid
[pka]

2.97±0.21(Predicted)
[BRN ]

1774990
[InChI]

1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)
[InChIKey]

HXKXBCBZXXQPPD-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCC(Br)C(O)=O
[EPA Substance Registry System]

Dodecanoic acid, 2-bromo- (111-56-8)
Hazard InformationBack Directory
[Chemical Properties]

off-white to slightly brown crystalline
[Uses]

2-Bromododecanoic acid was used in the synthesis of carboxylic amphoteric surfactants containing ether tertiary amino and carboxylic groups. It was also used in the synthesis of C12-lipoamino acid.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 4, p. 398, 1963
The Journal of Organic Chemistry, 18, p. 850, 1953 DOI: 10.1021/jo50013a012
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[TSCA ]

Yes
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Bromine-->Acetone-->Phosphorus trichloride-->Lauric acid
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