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Key Documents

531944

Sigma-Aldrich

(R,R)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chloride

Synonym(s):

(-)-Chloro[[2,2′-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]chromium, (SP-5-13)-Chloro[[2,2′-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]chromium

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About This Item

Empirical Formula (Hill Notation):
C36H52ClCrN2O2
CAS Number:
Molecular Weight:
632.26
MDL number:
UNSPSC Code:
12352101
PubChem Substance ID:
NACRES:
NA.22

mp

>350 °C (lit.)

SMILES string

CC(C)(C)c1cc2\C=N\[C@@H]3CCCC[C@H]3\N=C\c4cc(cc(c4O[Cr](Cl)Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

1S/C36H54N2O2.ClH.Cr/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;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m1../s1

InChI key

ZWANLSXDTHQDNO-OHRASPNLSA-K

Application

Catalyst used for:
  • Asymmetric anti-Mannich reactions
  • Coupling reactions
  • Ring-opening and Diels-Alder reactions
  • Allylic C-H oxidation of terminal alkenes

Legal Information

Sold under license from Sterling Pharma Solutions Limited.

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Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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