12125-77-8

Basic information

• Product Name: CYCLOHEPTATRIENE MOLYBDENUM TRICARBONYL
• Synonyms: CYCLOHEPTATRIENE MOLYBDENUM TRICARBONYL;MOLYBDENUM CYCLOHEPTATRIENE TRICARBONYL;TRICARBONYL(CYCLOHEPTATRIENE)MOLYBDENUM;Molybdenum, tricarbonyl(1,3,5-cycloheptatriene)-;Molybdenum,tricarbonyl[(1,2,3,4,5,6-eta)-1,3,5-cycloheptatriene]-;tricarbonyl(1,3,5-cycloheptatriene)-molybdenu;Tricarbonyl(eta-1,3,5-cycloheptatriene)molybdenum;tricarbonyl[(1,2,3,4,5,6-eta)cyclohepta-1,3,5-triene]molybdenum
• CAS NO: 12125-77-8
• Molecular Formula: C10H8MoO3
• Molecular Weight: 272.11
• EINECS: 235-197-4
• Product Categories: metal carbonyl complexes
• Mol File: 12125-77-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 100-101 °C (dec.)(lit.)
• Appearance: orange to red/crystal
• Water Solubility: It is insoluble in water.
• Sensitive: Air Sensitive
• CAS DataBase Reference: CYCLOHEPTATRIENE MOLYBDENUM TRICARBONYL(CAS DataBase Reference)
• NIST Chemistry Reference: CYCLOHEPTATRIENE MOLYBDENUM TRICARBONYL(12125-77-8)
• EPA Substance Registry System: CYCLOHEPTATRIENE MOLYBDENUM TRICARBONYL(12125-77-8)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: UN3466
• WGK Germany: 3
• RTECS: QA4700000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 12125-77-8(Hazardous Substances Data)

Usage

Safety Profile

Poison by intravenous route. A skin and eye irritant. When heated to decomposition it emits toxic fumes of Mo.

InChI:InChI=1/C7H8.3CHO.CH3.Mo/c1-2-4-6-7-5-3-1;3*1-2;;/h1-6H,7H2;3*1H;1H3;/rC7H8.C4H6MoO3/c1-2-4-6-7-5-3-1;1-5(2-6,3-7)4-8/h1-6H,7H2;2-4H,1H3

Upstream product

• 84517-71-5 [Mo(C₇H₈)(CO)2] 
• 544-25-2 Cyclohepta-1,3,5-triene 
• 13939-06-5 molybdenum hexacarbonyl 
• 12301-34-7 tetracarbonyl(η2:2-cyclooctadiene)chromium(0) 
• 12146-36-0 tetracarbonylnorbornadienchrom 
• 73871-81-5 (CO)3Cr(CH₃OC₂H₄)2O 
• 697302-50-4 (benzene)tricarbonylchromium 
• 199620-14-9 chromium⁽⁰⁾ hexacarbonyl 
• 27792-49-0 tricarbonyltrispyridinechromium⁽⁰⁾ 
• 12110-37-1 tricarbonyl(naphthalene)chromium⁽⁰⁾ 
• 502-49-8 cycloactanone 
• 142083-93-0 Cr(CO)3C₇H₇(P(C₆H₅)2CH₂CH₂P(C₆H₅)2)⁽¹⁺⁾*BF₄^(1-)=Cr(CO)3C₇H₇(P(C₆H₅)2CH₂CH₂P(C₆H₅)2)(BF₄) 
• 142083-83-8 Cr(CO)3C₇H₇(P(C₆H₅)2CH₂P(C₆H₅)2)⁽¹⁺⁾*BF₄^(1-)=Cr(CO)3C₇H₇(P(C₆H₅)2CH₂P(C₆H₅)2)(BF₄) 
• 19973-63-8 (CO)3Cr(C₄H₈O)3 

Downstream Products

• 13939-06-5 molybdenum hexacarbonyl 
• 88211-52-3 mer-trans-Mo(CO)3(P(C₆H₁₁)3)2(H₂) 
• 121393-42-8 fac-(CH₂CHCH₂CH₂PH₂)3molybdenum(CO)3 
• 544-25-2 Cyclohepta-1,3,5-triene 
• 130744-04-6 {(C₆H₅)2SbSCH(CH₃)2}3Mo(CO)3 
• 73690-53-6 Mo(CO)3(P(C₆H₁₁)3)2 
• 104198-79-0 mer-trans-Mo(CO)3(PCy2-i-Pr)2(η2-H2) 

Relevant articles and documents

Cyclodimerization of the tropylium ring by reduction of [(η7-C7H7)Mo(CO)3]+ to give [{Mo(CO)3}2(μ-η5:η 5-C7H7-C7H7

Reductive activation of the tropylium ring in [(η7-C7H7)M(CO)3]BF4 (M = Cr, Mo, W) leads to cyclodimerization and formation of [{M(CO)3}2(μ-η5:η5-C 7/

7?-acetoxy-(1H?, 6H?)-bicyclo[4.4.1]undeca-2,4,8-triene via chromium-mediated higher order cycloaddition: [ bicyclo[4.4.1]undeca-3,7,9-triene-2-ol, acetate, endo- (±)- ]

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Heterobimetallic indenyl complexes. Kinetics and mechanism of substitution and exchange reactions of trans-[Cr(CO)3-indenyl-Rh(CO)2] with olefins

The trans coordination of the benzene ring of the indenyl-Rh(CO)2 complex with tricarbonylchromium strongly enhances the rate of substitution of CO's with bidentate olefins, 1,5-cyclooctadiene (COD) and norbornadiene (NBD) ( extra-indenyl effect ). The activation parameters suggest an associative reaction pathway assumed to proceed via the intermediacy of a nonisolable low-hapticity species, η1-indenyl-Rh(CO)2(L2). In addition, the rate of exchange of the Cr(CO)3 group of the complexes trans-[Cr(CO)3-indenyl-Rh(CO)2], 3, and trans-[Cr(CO)3-indenyl-Rh(COD)], 3a, and suitable acceptors (hexamethylbenzene and cycloheptatriene) is markedly increased with respect to that measured for the same reaction in the monometallic complex η-naphthalene-Cr(CO)3 ( extra-naphthalene effect ). These mutual effects of the Cr(CO)3 and RhL2 units are transmitted through the 10 π electron indenyl framework, and the results obtained are in agreement with the existence of an haptomeric ground-state equilibrium between the two isomers trans-[Cr(CO)3μ,η6:η 3-indenyl-RhL2], I, and trans-[Cr(CO)3-μ,η4:η 5-indenyl-RhL2], II.