trans-1,2-Cyclohexanediaminetetraacetic acid

Basic Information

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CAS Number

13291-61-7

Molecular Formula

C14H22N2O8

Molecular Weight

346.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

213-216 ºC

SMILES

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OC(=O)CN([C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1

InChIKey

FCKYPQBAHLOOJQ-NXEZZACHSA-N

LogP

-0.7599999999999971

Topological Polar Surface Area

155.68 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

419

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

Stability

Stable. Incompatible with strong oxidizing agents. Combustible.

Synonyms & References

English

2,2',2'',2'''-((1R,2R)-rel-Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid
1,2-Cyclohexylenedinitrilotetraacetic acid monohydrate
CDTA monohydrate
trans-1,2-diaminocyclohexane-N,N,N,*N-tetraacet
trans-cyclohexane-1,2-dinitrilotetraacetic acid
trans-1,2-Cyclohexanediaminetetraacetic acid monohydrate
CyDTA
TRANS-1,2-DIAMINOCYCLOHEXANE-
1 week
1,2-Cyclohexylenedinitrilotetraacetic acid
TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACID
1,2-Cyclohexanedinit
1,2-Cyclohexanedinitrilotetraacetic acid
CDTA REAGENT
CDTA TITRANT
Cyclohexanecarboxaldehyde
HEXAVER(R) TITRANT
ortho-Diamino-trans-cyclohexane-N,N,N',N'-tetraacetic acid
rel-2,2',2'',2'''-((1R,2R)-Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid
trans-1,2-Cyclohexanediamine N,N,N',N'-tetraacet
trans-1,2-Diaminocyclohexane-N
trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
Trans-1,2-DiaMinocyclohexane-N,N,N,N-Tetraacetic Acid Monohydrate
TRANS-CDTA
Cyclohexanedinitrilotetraaceticaci
CDTA
trans-1,2-Cyclohexanediamine-N,N,N',N'-tetraacetic acid
Chelaton 4
2,2',2'',2'''-((1R,2R)
LABOTEST-BB LT00455844
Complexon IV

MDL Number

MFCD00003845

Customs Code

29224995

FAQ

What are the physical and chemical properties of trans-1,2-Cyclohexanediaminetetraacetic acid (CAS: 13291-61-7)?

Trans-1,2-Cyclohexanediaminetetraacetic acid (CDTA, CAS: 13291-61-7) is a crystalline solid with a molecular weight of approximately 276.26 g/mol. It has a high solubility in water, with a solubility of about 100 g/L at 20°C. CDTA is known for its chelating properties and reactivity towards various metal ions, making it useful in complexometric titrations and as a stabilizer in aqueous solutions.

How is trans-1,2-Cyclohexanediaminetetraacetic acid (CAS: 13291-61-7) typically synthesized?

Trans-1,2-Cyclohexanediaminetetraacetic acid (CDTA, CAS: 13291-61-7) is typically synthesized through a multistep process involving the reaction of 1,2-cyclohexanediamine with carbon dioxide and acetic anhydride. The synthesis requires careful control of temperature and pressure to ensure the formation of the desired trans isomer. The reaction yields a mixture of cis and trans isomers, with the trans isomer being purified and isolated.

What industries use trans-1,2-Cyclohexanediaminetetraacetic acid (CAS: 13291-61-7)?

Trans-1,2-Cyclohexanediaminetetraacetic acid (CDTA, CAS: 13291-61-7) is widely used across various industries. It is a key component in pharmaceuticals for the stabilization of active ingredients, in polymers for enhancing performance, in sensors for metal ion detection, and in semiconductors for the removal of impurities. Additionally, CDTA is used in environmental remediation for the removal of heavy metals from contaminated sites.

What precautions should be taken when handling trans-1,2-Cyclohexanediaminetetraacetic acid (CAS: 13291-61-7)?

When handling trans-1,2-Cyclohexanediaminetetraacetic acid (CDTA, CAS: 13291-61-7), it is crucial to follow proper laboratory safety guidelines. Wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store CDTA in a dry, well-ventilated area to prevent moisture absorption. Use a fume hood during handling to avoid inhalation. In case of spill, neutralize the spill with an appropriate chemical and dispose of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.