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Manganese,chloro[[2,2'-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, (SP-5-13)- (135620-04-1)

Identification
Name:Manganese,chloro[[2,2'-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, (SP-5-13)-
Synonyms:Manganese,chloro[[2,2'-[1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, [SP-5-13-(1S-trans)]-;Phenol,2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)-,manganese complex, (1S-trans)-;(S,S)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-diaminocyclohexylmanganese(III)chloride;(S,S)-Jacobsen's catalyst;(S,S)-[N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]manganese(III)chloride;KJB 002;Manganese,chloro[[2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)phenolato]](2-)-N,N',O,O']-,[SP-5-13-(1S-trans)]-;S,S-Jacobsen catalyst;
CAS:135620-04-1
Molecular Formula: C36H52ClMnN2O2
Molecular Weight: 635.2
Molecular Structure: (C36H52ClMnN2O2) Manganese,chloro[[2,2'-[1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethy...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Appearance:dark brown powder
Specification:

The (S,S)-(+)N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, with the CAS registry number 135620-04-1, is also known as (S,S)-Jacobsen's catalyst manganese(III) chloride complex. It belongs to the product category of Chiral Reagents. This chemical's molecular formula is C36H52ClMnN2O2and molecular weight is 635.2. Its systematic name is called 2,2'-{(1S,2S)-cyclohexane-1,2-diylbis[nitrilo(E)methylylidene]}bis(4,6-di-tert-butylphenol) - trichloromanganese (1:1). This chemical is dark brown powder.

Physical properties about this chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 65.18 Å2; (5)Melting Point: 330-332 °C(lit.).

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Mn](Cl)Cl.CC(C)(C)c3cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c(O)c(c3)C(C)(C)C
(2)InChI: InChI=1/C36H54N2O2.3ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;;;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;;;;+3/p-3/b37-21+,38-22+;;;;/t29-,30-;;;;/m0..../s1
(3)InChIKey: VGAJDQCIDNCJQC-PRRPLGRRBP

Flash Point: °C
Safety Data
Hazard Symbols Xi: Irritant
 

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