ChemicalBook--->CAS DataBase List--->13291-61-7

13291-61-7

13291-61-7 Structure

13291-61-7 Structure
IdentificationMore
[Name]

1,2-Cyclohexylenedinitrilotetraacetic acid
[CAS]

13291-61-7
[Synonyms]

1,2-CYCLOHEXANEDIAMINE-TETRAACETIC ACID
(1,2-CYCLOHEXYLENEDINITRILO)TETRAACETIC ACID
1,2-DIAMINOCYCLOHEXANETETRAACETIC ACID
CDTA
CDTA REAGENT
CDTA TITRANT
CYCLOHEXANEDIAMINETETRAACETIC ACID
HEXAVER(R) TITRANT
LABOTEST-BB LT00455844
TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACID
TRANS-1,2-DIAMINOCYCLOHEXANE-N,N,N',N'-TETRAACETIC ACID
TRANS-CDTA
1,2-diaminocyclohexane-n,n,n’-tetraaceticacidhydrate
n’-1,2-cyclohexanediylbis[n-(carboxymethyl)-trans-glycin
trans-1,2-diaminocyclohexanetetraacetic
trans-1,2-diaminocyclohexanetetraaceticacid
trans-cyclohexane-1,2-dinitrilotetraaceticacid
trans-1,2-Diaminocyclohexanetetraacetic acid monhydrate
trans-Cyclohexanediaminetetraaceticacid=trans-CyDTA
TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACID 1-HYDRATE
[EINECS(EC#)]

236-308-9
[Molecular Formula]

C14H22N2O8
[MDL Number]

MFCD00003845
[Molecular Weight]

346.33
[MOL File]

13291-61-7.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

213-216 °C(lit.)
[Boiling point ]

670.8±55.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

1.78±0.10(Predicted)
[color ]

White to off-white
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[Water Solubility ]

425.4g/L at 25℃
[InChI]

InChI=1/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-/s3
[InChIKey]

FCKYPQBAHLOOJQ-DPIMBTEZNA-N
[SMILES]

N([C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O |&1:1,6,r|
[LogP]

-2.15 at 25℃
[CAS DataBase Reference]

13291-61-7(CAS DataBase Reference)
[EPA Substance Registry System]

Glycine, N,N'-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, rel- (13291-61-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[F ]

9
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29224995
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

trans-1,2-Cyclohexanediamine-N,N,N',N'-tetraacetic acid(13291-61-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

1,2-Cyclohexanedinitrilotetraacetic acid
[Flammability and Explosibility]

Notclassified
[Synthesis]

Weighed 1.04g of trans-1,2-cyclohexanediamine sulfate product and 2.31g of chloroacetic acid, dissolved in 2.5mL of distilled water. Under the condition of room temperature, add NaOH aqueous solution (5.0mL, 30%) dropwise while stirring, after the drop

[Purification Methods]

Dissolve CDTA in aqueous NaOH as its disodium salt, then precipitate it by adding HCl. The free acid is filtered off and boiled with distilled water to remove traces of HCl [Bond & Jones Trans Faraday Soc 55 1310 1959]. Recrystallise it from water and dry it in vacuo.[Beilstein 13 III 10.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7)1HNMR
1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7)13CNMR
1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13291-61-7(sigmaaldrich)
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