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46022-05-3

46022-05-3 Structure

46022-05-3 Structure
IdentificationMore
[Name]

(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
[CAS]

46022-05-3
[Synonyms]

Lurasidone INT 4
Lurasidone Impurity 49
Lurasidone intermediate 6
(R,R)-1,2-Cyclohexanedicarboxylic Acid
(R,R)-CYCLOHEXANE-1,2-DICARBOXYLIC ACID
(1R)-1β,2α-Cyclohexanedicarboxylic acid
(1R 2R)-(-)-TRANS-CYCLOHEXANE-1 2-DICAR&
(1R,2R)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
(1R,2R)-Cyclohexane-1,2-dicarboxylic acid
1,2-Cyclohexanedicarboxylic acid, (1R,2R)-
(1R,2R)-(-)-1,2-CyclohexanedicarboxylicAci
(1R-trans)-1,2-Cyclohexanedicarboxylic acid
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID
(1R,2R)-1,2-Cyclohexanedicarboxylic Acid >
(1R,2R)-2-Carbamoyl-cyclohexanecarboxylic acid
(1R,2R)-Trans 1,2-cyclohexane dicarboxylic acid
(1R,2R)-Cyclohexane-1,2-dicarboxylic acid, 98+%
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID 99+%
(1R,2R)-(?-trans-Cyclohexane-1,2-dicarboxylic acid
(1R,2R)-(-)-trans-cyclohexane-1,2-dicar-boxylic acid
(1R,2R)-1,2-Cyclohexanedicarboxylic acid(For export only)
(1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid for synthesis
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID ISO 9001:2015 REACH
[EINECS(EC#)]

670-321-4
[Molecular Formula]

C8H12O4
[MDL Number]

MFCD00062973
[Molecular Weight]

172.18
[MOL File]

46022-05-3.mol
Chemical PropertiesBack Directory
[Melting point ]

184 °C
[Boiling point ]

384.1±35.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[refractive index ]

-18 ° (C=1, Acetone)
[storage temp. ]

Store below +30°C.
[solubility ]

Soluble in acetone.
[form ]

Solid
[pka]

4.18±0.28(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
[InChIKey]

QSAWQNUELGIYBC-PHDIDXHHSA-N
[SMILES]

[C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
[CAS DataBase Reference]

46022-05-3(CAS DataBase Reference)
[EPA Substance Registry System]

1,2-Cyclohexanedicarboxylic acid, (1R,2R)- (46022-05-3)
Safety DataBack Directory
[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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

WGK 3 highly water endangering
[HS Code ]

29171900
Hazard InformationBack Directory
[Uses]

Chiral dicarboxylic acid guests with a two C spacer (1R,2R)-cyclohexane-1,2-dicarboxylic acid and Boc-L-aspartic acid] gave CD-active species.
Spectrum DetailBack Directory
[Spectrum Detail]

(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID(46022-05-3)MS
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID(46022-05-3)IR1
(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID(46022-05-3)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

(1R,2R)-1,2-Cyclohexanedicarboxylic Acid,>98.0%(GC)(T)(46022-05-3)
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