CAS No.135620-04-1,(S,S)-(+)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-MANGANESE(III) CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135620-04-1
Name:	(S,S)-(+)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-MANGANESE(III) CHLORIDE
Article Data:	3

Formula:	C₃₆H₅₂ClMnN₂O₂
Molecular Weight:	635.212
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;
Melting Point:	330-332 °C(lit.)
Appearance:	dark brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26-36-36/37/39
PSA:	65.18000
LogP:	0.14900

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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