Basic information
- CAS
164931-83-3- Standard SMILES
CC(C)(C)c1cc(C=N[C@@H]2CCCC[C@H]2N=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cl.Cl.[Cl-].[Cr+3]- InChIKey
ABSDVGHEFTVUQG-ZYOJYBKFSA-K- Molecular formula
- C36H54Cl3CrN2O2
- Average molar mass
- 705.2 g/mol
- Monoisotopic mass
- 703.265592
Names & identifiers
- Preferred name
- chromium(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;chloride;dihydrochloride
- IUPAC
- chromium(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;chloride;dihydrochloride
- English name
- (1R,2R)-(-)-[1,2-Cyclohexanediamino-n N'-bis(3,5-di-t-butylsalicylidene)]chromium (III) chloride
- Molecular formula
- C36H52ClCrN2O2
- Molecular weight
- 632.27
Names & synonyms
164931-83-3(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chlorideF551654(R,R)Jacbosen(r,r)-n,n'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanRR,R)-N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III)chloride（1R,2R）-(－)-〔1，2-Cyclohexanediamino-N,N-bis(3,5-di-t-butylsalicylidene)〕chromium(Ⅲ) Chloride(1R,2R)-(+)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)chromium(III) chloride(1R,2R)-(-)-[1,2-Cyclohexanediamino-n N'-bis(3,5-di-t-butylsalicylidene)]chromium (III) chloride(1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-tert-butylsalicylidene)]chromium(III)chloride(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chloride Catalytic reagent(R,R)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminochromium(III) chloride
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 793
Physicochemical properties
- Melting point
- 350 °C · >350 °C(lit.)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Powder
- color
- brown
- InChIKey
- ZWANLSXDTHQDNO-OHRASPNLSA-K
- SMILES
- 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
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
UsesCatalyst used for:Asymmetric anti-Mannich reactionsCoupling reactionsRing-opening and Diels-Alder reactionsAllylic C-H oxidation of terminal alkenes
Suppliers39 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海茵凯化学科技有限公司021-57603038 13601791340;13818007232 · [email protected]
上海瑞诗化工有限公司86-021-54933292 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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