2-Bromohexadecanoic acid

Basic Information

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CAS Number

18263-25-7

Molecular Formula

C16H31BrO2

Molecular Weight

335.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

52-54 °C

Solubility

methanol: soluble1g/10 mL, clear, colorless

Refractive Index

1.4650 (estimate)

SMILES

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CCCCCCCCCCCCCCC(C(=O)O)Br

InChI

InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

InChIKey

DPRAYRYQQAXQPE-UHFFFAOYSA-N

LogP

5.925700000000006

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

207

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Bromohexadecanoic acid, >=99.0% (GC)
FT-0611564
Hexadecanoic acid, 2-bromo-
NSC58378
LMFA01090011
UNII-7EI4G5X28Z
7EI4G5X28Z
DTXSID0037734
BDBM50148454
CS-0090892
A812715
DL-2-BROMOPALMITATE
NCIOpen2_007723
2-Bromohexadecanoic acid, ~97%
NCGC00164251-02
2-Bromopalmitate
NCGC00164251-01
18263-25-7
J-011689
alpha-Bromopalmitic acid
AS-59253
bromohexadecanoic acid
NCGC00254935-01
PD165437
NSC 58378
1-BROMOPENTADECANECARBOXYLIC ACID
Hexadecanoic acid,2-bromo-
CHEMBL118417
2-Bromohexadecanoic acid
CHEBI:133152
Tox21_301033

MDL Number

MFCD00004215

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 2-Bromohexadecanoic acid (CAS: 18263-25-7)?

2-Bromohexadecanoic acid (CAS: 18263-25-7) is a white to off-white crystalline solid with a molecular weight of approximately 332.06 g/mol. It has a high melting point and is almost insoluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive towards nucleophiles due to the bromine substituent, making it suitable for various synthetic applications.

How is 2-Bromohexadecanoic acid (CAS: 18263-25-7) typically synthesized?

2-Bromohexadecanoic acid (CAS: 18263-25-7) is typically synthesized via bromination of hexadecanoic acid in the presence of a suitable base like sodium hydride. The reaction is carried out in an anhydrous solvent such as dimethylformamide (DMF). High selectivity and yield are achieved under controlled conditions.

What industries use 2-Bromohexadecanoic acid (CAS: 18263-25-7)?

2-Bromohexadecanoic acid (CAS: 18263-25-7) finds applications in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs), in the polymer industry for functionalizing polymers, and in the chemical sensor industry for developing selective sensors. It is also utilized in semiconductor applications for specific chemical treatments.

What precautions should be taken when handling 2-Bromohexadecanoic acid (CAS: 18263-25-7)?

When handling 2-Bromohexadecanoic acid (CAS: 18263-25-7), appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats should be worn. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be immediately contained and cleaned up using appropriate tools and materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.