[ CAS No. 29261-33-4 ] {[proInfo.proName]}

Name: 29261-33-4|2,2'-(Perfluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile|98%
Brand: Ambeed
SKU: A407450
Rating: 93 (22 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

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Structure of 29261-33-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 29261-33-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 29261-33-4 ]

SDS Specification

Alternatived Products of [ 29261-33-4 ]

Product Details of [ 29261-33-4 ]

CAS No. :	29261-33-4	MDL No. :	MFCD00042382
Formula :	C₁₂F₄N₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IXHWGNYCZPISET-UHFFFAOYSA-N
M.W :	276.15	Pubchem ID :	2733307
Synonyms :
UV :	339 nm (in THF)
FL :	402 nm (in THF)	Materials Type :	Other OLED Materials

Calculated chemistry of [ 29261-33-4 ]

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	8.0
Num. H-bond donors :	0.0
Molar Refractivity :	54.79
TPSA :	95.16 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.35
Log Po/w (XLOGP3) :	0.25
Log Po/w (WLOGP) :	2.32
Log Po/w (MLOGP) :	1.52
Log Po/w (SILICOS-IT) :	3.6
Consensus Log Po/w :	1.81

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.93
Solubility :	3.23 mg/ml ; 0.0117 mol/l
Class :	Very soluble
Log S (Ali) :	-1.81
Solubility :	4.29 mg/ml ; 0.0155 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.95
Solubility :	0.0311 mg/ml ; 0.000113 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.59

Safety of [ 29261-33-4 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P280-P301+P310-P311	UN#:	3439
Hazard Statements:	H301+H311+H331	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 29261-33-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 29261-33-4 ]

[ 29261-33-4 ] Synthesis Path-Downstream 1~88

1
[ 29097-86-7 ]
[ 29261-33-4 ]

Reference： [1]Journal of Organic Chemistry,1975,vol. 40,p. 3101 - 3109

2
[ 1122-58-3 ]
[ 27607-77-8 ]
[ 29261-33-4 ]
C₂₆H₂₀F₂N₈⁽²⁺⁾*C₇H₁₀N₂*2CF₃O₃S^(1-) [ No CAS ]

Reference： [1]Chemistry Letters,1993,p. 517 - 520

3
[ 31366-25-3 ]
[ 29261-33-4 ]
[ 60665-17-0 ]

Reference： [1]Molecular Crystals and Liquid Crystals (1969-1991),1982,vol. 90,p. 163 - 171

4
[ 67466-80-2 ]
[ 29261-33-4 ]
bis<benzo<1,2-c:3,4-c':5,6-c''>trithiophene>-tetrafluorotetracyanoquinodimethan [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1988,vol. 61,p. 2303 - 2308

5
[ 831-91-4 ]
[ 29261-33-4 ]
[ 588-46-5 ]
[ 100-52-7 ]
[ 882-33-7 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 3475 - 3478

6
[ 946-80-5 ]
[ 29261-33-4 ]
[ 588-46-5 ]
[ 100-52-7 ]
[ 108-95-2 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 3475 - 3478

7
[ 808-57-1 ]
[ 29261-33-4 ]
2,3,6,7,10,11-Hexamethoxy-triphenylene; compound with 2-(4-dicyanomethylene-2,3,5,6-tetrafluoro-cyclohexa-2,5-dienylidene)-malononitrile [ No CAS ]

Reference： [1]Molecular Crystals and Liquid Crystals (1969-1991),1989,vol. 176,p. 229 - 240

8
[ 29261-33-4 ]
[ 92187-27-4 ]
[ 123265-19-0 ]

Reference： [1]Journal of the American Chemical Society,1990,vol. 112,p. 381 - 398

9
[ 29261-33-4 ]
[ 128478-38-6 ]
[ 128478-53-5 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

10
[ 29261-33-4 ]
[ 128478-34-2 ]
[ 128478-51-3 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

11
[ 29261-33-4 ]
[ 128478-40-0 ]
[ 128478-52-4 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

12
[ 29261-33-4 ]
[ 128478-35-3 ]
[ 128478-54-6 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

13
[ 29261-33-4 ]
[ 128478-41-1 ]
[ 128478-55-7 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

14
[ 29261-33-4 ]
[ 128478-39-7 ]
[ 128478-56-8 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

15
[ 29261-33-4 ]
[ 130625-47-7 ]
[ 130625-52-4 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1990,vol. 63,p. 2441 - 2443

16
[ 29261-33-4 ]
[ 108079-34-1 ]
[ 111082-59-8 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 2011 - 2014

17
[ 29261-33-4 ]
[ 108079-35-2 ]
[ 111094-66-7 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 2011 - 2014

18
[ 29261-33-4 ]
[ 136559-96-1 ]
[ 136559-98-3 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 2091 - 2102

19
[ 29261-33-4 ]
[ 79841-78-4 ]
C₁₂F₄N₄*C₈H₁₀S₄ [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1981,p. 829 - 831

20
[ 29261-33-4 ]
[ 564480-29-1 ]
C₁₂F₄N₄*2C₉H₆N₂S₄ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2007,vol. 129,p. 10837 - 10846

21
[ 29261-33-4 ]
1-(10-acetylsulfanyldecyl)-4-methylquinolinium iodide [ No CAS ]
2-{2,3,5,6-tetrafluoro-4-[6-(10-acetylsulfanyldecyl)-3-(1-(10-acetylsulfanyldecyl)-1H-quinolin-4-ylidenemethyl)-6H-benzo[f]-[1,7]naphthyridin-2-ylidene]-cyclohexa-2,5-dienylidene}malonitrile [ No CAS ]

Reference： [1]Physical Chemistry Chemical Physics,2007,vol. 9,p. 996 - 1002

22
C₁₁H₈N₂S₆ [ No CAS ]
[ 29261-33-4 ]
C₂₃H₇F₄N₆S₆ [ No CAS ]

Reference： [1]Chemical Communications,2007,p. 4009 - 4011

23
[ 392-56-3 ]
[ 29261-33-4 ]

Reference： [1]Journal of Organic Chemistry,1975,vol. 40,p. 3101 - 3109

24
[ 59568-28-4 ]
[ 29261-33-4 ]
[ 121192-67-4 ]

Reference： [1]Inorganic Chemistry,1989,vol. 28,p. 2930 - 2939

25
[ 74507-61-2 ]
[ 29261-33-4 ]
[ 118458-13-2 ]

Reference： [1]Journal of Physical Chemistry,1989,vol. 93,p. 2284 - 2291

26
[ 74507-62-3 ]
[ 29261-33-4 ]
[ 118458-10-9 ]

Reference： [1]Journal of Physical Chemistry,1989,vol. 93,p. 2284 - 2291

27
[ 74507-62-3 ]
[ 29261-33-4 ]
[ 118458-12-1 ]

Reference： [1]Journal of Physical Chemistry,1989,vol. 93,p. 2284 - 2291

28
[ 12126-50-0 ]
[ 29261-33-4 ]
[ 118458-09-6 ]

Reference： [1]Journal of Physical Chemistry,1989,vol. 93,p. 2284 - 2291

29
[ 12126-50-0 ]
[ 29261-33-4 ]
[ 118458-11-0 ]

Reference： [1]Journal of Physical Chemistry,1989,vol. 93,p. 2284 - 2291

30
[ 29261-33-4 ]
[ 7440-22-4 ]
Ag₂(TCNQF₄) [ No CAS ]

Reference： [1]Solid State Communications,1988,vol. 68,p. 503 - 506

31
2,3,5,6-tetrafluoro-1,4-bis(tert-butyldicyanomethyl)benzene [ No CAS ]
[ 29261-33-4 ]

Reference： [1]Journal of Organic Chemistry,1975,vol. 40,p. 3101 - 3109
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: F: PerFHalOrg.9, 7, page 50 - 101

32
1,1',2,2',3,3',4,4'-octaethylferrocene [ No CAS ]
[ 29261-33-4 ]
{(C₅(C₂H₅)4H)2Fe}⁽¹⁺⁾*{C₆F₄(C(CN)2)2}^(1-)={(C₅(C₂H₅)4H)2Fe}{C₆F₄(C(CN)2)2} [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,1991,vol. 421,p. 275 - 283

33
decaethylferrocene [ No CAS ]
[ 29261-33-4 ]
{decaethylferrocenium (2,3,5,67-tetrafluoro-7,7',8,8'tetracyano-p-quinodimethane)} [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,1991,vol. 412,p. 143 - 155

34
[ 102-54-5 ]
[ 29261-33-4 ]
2{Fe(C₅H₅)2}⁽¹⁺⁾*2{C₆F₄(C(CN)2)2}^(1-)*{C₆F₄(C(CN)2)2}={Fe(C₅H₅)2}2{C₆F₄(C(CN)2)2}3 [ No CAS ]

Reference： [1]Inorganic Chemistry,1987,vol. 26,p. 600 - 608

35
[(η6-hexamethylbenzene)2Fe][PF6]2 [ No CAS ]
[ 29261-33-4 ]
[ 111112-72-2 ]

Reference： [1]Inorganic Chemistry,1987,vol. 26,p. 4213 - 4227

36
[ 71861-31-9 ]
[ 29261-33-4 ]
[ 111112-74-4 ]

Reference： [1]Inorganic Chemistry,1987,vol. 26,p. 4213 - 4227

37
[ 102-54-5 ]
[ 29261-33-4 ]
{Fe(C₅H₅)2}⁽¹⁺⁾*{C₆F₄(C(CN)2)2}^(1-)={Fe(C₅H₅)2}{C₆F₄(C(CN)2)2} [ No CAS ]

Reference： [1]Inorganic Chemistry,1987,vol. 26,p. 600 - 608

38
closo-[3-(η(5)-C5Me5)Fe-4-Me2S-1,2-C2B9H10] [ No CAS ]
[ 29261-33-4 ]
(C₅(CH₃)5)FeC₂B₉H₁₀S(CH₃)2⁽¹⁺⁾*C₆F₄(C(CN)2)2^(1-)=[(C₅(CH₃)5)FeC₂B₉H₁₀S(CH₃)2][C₆F₄(C(CN)2)2] [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1995,p. 2509 - 2514

39
closo-[3-(η(5)-C5Me5)Fe-4-Me2S-1,2-C2B9H10] [ No CAS ]
[ 29261-33-4 ]
(C₅(CH₃)5)FeC₂B₉H₁₀S(CH₃)2⁽¹⁺⁾*C₆F₄(C(CN)2)2^(1-)*99CH₂Cl₂=[(C₅(CH₃)5)FeC₂B₉H₁₀S(CH₃)2][C₆F₄(C(CN)2)2]*99CH₂Cl₂ [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1995,p. 2509 - 2514

40
tetrakis(3,4,5-trimethoxyphenyl)porphinatomanganese(II) [ No CAS ]
[ 29261-33-4 ]
[ 95-50-1 ]
tetrakis(3,4,5-trimethoxyphenyl)porphinatomanganese(III) 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethenide*99C₆H₄Cl₂ [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2000,p. 1781 - 1787

41
[ 212910-17-3 ]
[ 29261-33-4 ]
[ 244218-37-9 ]

Reference： [1]Organometallics,1999,vol. 18,p. 3679 - 3689

42
[ 212910-06-0 ]
[ 29261-33-4 ]
[ 244218-35-7 ]

Reference： [1]Organometallics,1999,vol. 18,p. 3679 - 3689

43
[ 224781-38-8 ]
[ 29261-33-4 ]
[Me2C(η(5)-C5H4)2Mo(4,5-disulfanyl-1,3-dithiole-2-thionate)]2[perfluoro-7,7,8,8-tetracyano-p-quinodimethane] [ No CAS ]

Reference： [1]Organometallics,1999,vol. 18,p. 1834 - 1839

44
[ 224781-45-7 ]
[ 29261-33-4 ]
[Me2C(η(5)-C5H4)2W(4,5-disulfanyl-1,3-dithiole-2-thionate)]2[perfluoro-7,7,8,8-tetracyano-p-quinodimethane] [ No CAS ]

Reference： [1]Organometallics,1999,vol. 18,p. 1834 - 1839

45
[ 212910-07-1 ]
[ 29261-33-4 ]
[ 244218-36-8 ]

Reference： [1]Organometallics,1999,vol. 18,p. 3679 - 3689

46
[ 83928-47-6 ]
[ 29261-33-4 ]
[Fe(C₅Me₅)(C₅H₅)][perfluoro-7,7,8,8-tetracyano-p-quinodimethane] [ No CAS ]

Reference： [1]Inorganic Chemistry,2001,vol. 40,p. 2058 - 2064

47
[ 204712-80-1 ]
[ 29261-33-4 ]
W(C₅H₅)2(C₃S₅)⁽¹⁺⁾*(NC)2CC₆F₄C(CN)2^(1-) = [W(C₅H₅)2(C₃S₅)][(NC)2CC₆F₄C(CN)2] [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1998,p. 483 - 488

48
[ 204712-85-6 ]
[ 29261-33-4 ]
W(C₅H₄C(CH₃)3)2(C₃S₅)⁽¹⁺⁾*(NC)2CC₆F₄C(CN)2^(1-)*CH₃CN = [W(C₅H₄C(CH₃)3)2(C₃S₅)][(NC)2CC₆F₄C(CN)2]*CH₃CN [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1998,p. 483 - 488

49
[ 204712-87-8 ]
[ 29261-33-4 ]
W(C₅H₅)2(C₃OS₄)⁽¹⁺⁾*(NC)2CC₆F₄C(CN)2^(1-) = [W(C₅H₅)2(C₃OS₄)][(NC)2CC₆F₄C(CN)2] [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,1998,p. 483 - 488

50
[ 173602-87-4 ]
[ 29261-33-4 ]
(C₅H₅)Fe(C₅H₄CCFe(C₅H₅)((C₆H₅)2PCH₂CH₂P(C₆H₅)2))⁽¹⁺⁾*C₁₂F₄N₄^(1-)=[(C₅H₅)Fe(C₅H₄CCFe(C₅H₅)(C₂₆H₂₄P₂))](C₁₂F₄N₄) [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1997,vol. 261,p. 113 - 116

51
(η(5)-C5Me5Co)2(μ-C2S4) [ No CAS ]
[ 29261-33-4 ]
((η(5)-C5Me5Co)perfluoro-7,7,8,8-tetracyano-p-quinidomethane)2(μ-C2S4) [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2002,p. 2026 - 2033

52
[ 574731-38-7 ]
[ 75-09-2 ]
[ 29261-33-4 ]
2[(((CH₃)3CC₅H₃N)2)Pt(C₃OS₄)]*C₆F₄(C(CN)2)2*2CH₂Cl₂ [ No CAS ]

Reference： [1]Inorganic Chemistry,2003,vol. 42,p. 4714 - 4723

53
[ 574731-38-7 ]
[ 29261-33-4 ]
[ 71-43-2 ]
(4,4'-di-tert-butyl-2,2'-bipyridine)Pt(2-oxo-1,3-dithiole-4,5-dithiolato)]2[tetracyanoethylene]*(benzene) [ No CAS ]

Reference： [1]Inorganic Chemistry,2003,vol. 42,p. 4714 - 4723

54
[ 574731-38-7 ]
[ 29261-33-4 ]
(4,4'-di-tert-butyl-2,2'-bipyridine)Pt(2-oxo-1,3-dithiole-4,5-dithiolato)]2[2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane] [ No CAS ]

Reference： [1]Inorganic Chemistry,2003,vol. 42,p. 4714 - 4723

55
bis(pentamethylcyclopentadienyl)nickel [ No CAS ]
[ 29261-33-4 ]
[ 182244-45-7 ]
decamethylnickelocenium 7,7,8,8-tetracyanoperfluoro-p-quinodimethandiide [ No CAS ]

Reference： [1]Chemical Communications,1996,p. 1979 - 1980

56
bis(pentamethylcyclopentadienyl)nickel [ No CAS ]
[ 29261-33-4 ]
2Ni(C₅(CH₃)5)2⁽¹⁺⁾*C₁₂F₄N₄^(2-) = [Ni(C₅(CH₃)5)2]2[C₁₂F₄N₄] [ No CAS ]

Reference： [1]Chemical Communications,1996,p. 1979 - 1980

57
diruthenium(II) tetrafuoracetate [ No CAS ]
[ 106-42-3 ]
[ 29261-33-4 ]
[(Ru₂(O₂CCF₃)4)2(2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane)]*3(p-xylene) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 11358 - 11359

58
[ 26042-63-7 ]
[ 55658-96-3 ]
[ 75-09-2 ]
[ 29261-33-4 ]
(μ4-2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane)[Re(CO)3(2,2'-bipyridine)]4(PF6)3*2CH2Cl2 [ No CAS ]

Reference： [1]Dalton Transactions,2008,p. 5749 - 5753

59
[ 67-56-1 ]
[ 29261-33-4 ]
[ 71-30-7 ]
C₁₂HF₄N₄*2C₄H₅N₃O [ No CAS ]
2-(4-dicyanomethyl-2,3,5,6-tetrafluoro-phenyl)-2-methoxy-malononitrile; compound with 4-amino-1<i>H</i>-pyrimidin-2-one [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2008,vol. 81,p. 331 - 344

60
[ 118-12-7 ]
[ 29261-33-4 ]
[ 500285-21-2 ]

Reference： [1]Bulletin of the Chemical Society of Japan,2008,vol. 81,p. 1131 - 1146

61
[ 848749-43-9 ]
[ 29261-33-4 ]
[ 1160823-52-8 ]

Reference： [1]Chemistry - A European Journal,2009,vol. 15,p. 4111 - 4123

62
[ 935528-56-6 ]
[ 29261-33-4 ]
[ 1160823-51-7 ]

Reference： [1]Chemistry - A European Journal,2009,vol. 15,p. 4111 - 4123

63
[ 29261-33-4 ]
[ 480430-25-9 ]
[ 1160823-53-9 ]

Reference： [1]Chemistry - A European Journal,2009,vol. 15,p. 4111 - 4123

64
tetrakis(trifluoroacetato)rhodium(II) [ No CAS ]
[ 75-09-2 ]
[ 106-42-3 ]
[ 29261-33-4 ]
[(Rh₂(O₂CCF₃)4)2(2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane)]*(p-xylene)*2.5CH₂Cl₂ [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 1532 - 1544

65
[ 112543-19-8 ]
[ 106-42-3 ]
[ 29261-33-4 ]
[(Ru₂(O₂CCF₃)4)2(2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane)]*2(p-xylene) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 1532 - 1544

66
[ 1233221-21-0 ]
[ 29261-33-4 ]
3[Fe(C₅H₄P(C₆H₅)2)2Pt(C₆HF₄S)2]*2C₈F₄(CN)4 = [Fe(C₅H₄P(C₆H₅)2)2Pt(C₆HF₄S)2]3(C₈F₄(CN)4)2 [ No CAS ]

Reference： [1]Inorganic Chemistry Communications,2010,vol. 13,p. 183 - 186

67
29-(4,5-bis-decylsulfanyl-[1,3]dithiol-2-ylidene)-14-(5,6-dihydro-[1,3]dithiolo[4,5-<i>b</i>][1,4]dithiin-2-ylidene)-5,8,20,23-tetraoxa-2,11,13,15,17,26,28,30-octathia-tricyclo[25.3.0.0^12,16]triaconta-1⁽²⁷⁾,12⁽¹⁶⁾-diene [ No CAS ]
[ 29261-33-4 ]
2C₁₂F₄N₄^(1-)*C₄₆H₇₀O₄S₁₆⁽²⁺⁾ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2009,vol. 82,p. 968 - 974

68
[ 1192490-27-9 ]
[ 29261-33-4 ]
2C₁₂F₄N₄^(1-)*C₂₈H₃₂O₄S₁₆⁽²⁺⁾ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2009,vol. 82,p. 968 - 974

69
[ 1312021-78-5 ]
[ 29261-33-4 ]
C₁₂F₄N₄*C₃₂H₂₄O₂S₈ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79%	In acetonitrile; for 48h;Cooling;	With TCNQF4. TCNQF4 (10 mg, 0.036 mmol) is added to a warm solution of the racemic donor (R,S)-5 (15 mg, 0.0215 mmol) in CH3CN (15 mL). The cooled solution deposited black crystals after 2 days. Filtration and washing with CH3CN afforded the title compound (18 mg, 79%), a 1:1 complex formulated as [(R,S)-5](TCNQF4)·(CH3CN)2 from single crystal X-ray diffraction. IR: nuCN 2191, 2165 cm-1. Elem. Anal. Calcd for C44H24F4N4O2S8 (973.20 g mol-1): C, 54.30; H, 2.49. Found: C, 52.99; H, 2.41.

Reference： [1]Tetrahedron,2011,vol. 67,p. 3820 - 3829

70
[ 75-09-2 ]
C₃₀H₂₀O₂S₆ [ No CAS ]
[ 29261-33-4 ]
CH₂Cl₂*C₁₂F₄N₄*C₃₀H₂₀O₂S₆ [ No CAS ]

Reference： [1]New Journal of Chemistry,2011,vol. 35,p. 1004 - 1010

71
[ 75-09-2 ]
C₃₀H₂₀O₂S₆ [ No CAS ]
[ 29261-33-4 ]
CH₂Cl₂*C₁₂F₄N₄*C₃₀H₂₀O₂S₆ [ No CAS ]

Reference： [1]New Journal of Chemistry,2011,vol. 35,p. 1004 - 1010

72
[ 29261-33-4 ]
[ 1246173-54-5 ]
bis(4-(2-salicylidenoiminotoethylthio)-5-methyl-4',5'-ethylenedithio-tetrathiofulvalene)copper(II)-2,3,5,6-tatrafluoro-7,7,8,8-tetracyano-p-quinodimethane (2/3) [ No CAS ]

Reference： [1]Physica B: Condensed Matter,2010,vol. 405,p. S55-S60

73
[ 29261-33-4 ]
C₂₆H₁₆S₁₆ [ No CAS ]
C₁₂F₄N₄*C₂₆H₁₆S₁₆ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2012,vol. 85,p. 830 - 835

74
[ 29261-33-4 ]
C₃₄H₃₂S₂₄ [ No CAS ]
C₁₂F₄N₄*C₃₄H₃₂S₂₄ [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,2012,vol. 85,p. 830 - 835

75
[ 29261-33-4 ]
[(Pt(PEt₃)2)6(C₁₀H₂N₂S₄(C₅H₄N)4)3](triflate)12 [ No CAS ]
[(Pt(PEt₃)2)6(C₁₀H₂N₂S₄(C₅H₄N)4)2(C₁₀H₂N₂S₄(C₅H₄N)2⁽¹⁺⁾)(tetrafluorotetracyano-p-quinodimethane^(1-))](triflate)12 [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2012,vol. 134,p. 11968 - 11970

76
[ 67-66-3 ]
[ 29261-33-4 ]
[ 1397289-88-1 ]
[ 108-88-3 ]
2C₁₂F₄N₄^(1-)*C₇H₈*3CHCl₃*C₈₀H₇₀P₄Pt₂S₁₀⁽²⁺⁾ [ No CAS ]

Reference： [1]Journal of Organometallic Chemistry,2012,vol. 716,p. 237 - 244

77
[ 29261-33-4 ]
[ 1397289-87-0 ]
[ 108-90-7 ]
2C₁₂F₄N₄^(1-)*4C₆H₅Cl*C₇₆H₆₂P₄Pt₂S₁₀⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	at 70℃; for 0.666667h;	[(P2)Pt(mu-BT)2Pt(P2)](TCNQF4)2·(PhCl)4. To a chlorobenzene solution (1 mL) of (P2)Pt(BT)2 (0.01 mmol, 10 mg) was added a chlorobenzene solution (1 mL) of TCNQF4 (0.01 mmol, 2.8 mg). The dark green solution was heated at 70C for 40 min. Some black crystals began to form, as the reaction solution was stored in a freezer. The product was filtered off, washed with cold chlorobenzene and dried under vacuum.

Reference： [1]Journal of Organometallic Chemistry,2012,vol. 716,p. 237 - 244

78
[ 29261-33-4 ]
Li₂(2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane^(2-)) [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10568 - 10574

79
[ 29261-33-4 ]
[ 34473-33-1 ]

Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10568 - 10574

80
[ 29261-33-4 ]
(Pr₄N)2(2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane^(2-)) [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10568 - 10574

81
ammonium hexafluorophosphate [ No CAS ]
pentaamminechlororuthenium(III) dichloride [ No CAS ]
[ 29261-33-4 ]
[ 67-64-1 ]
[pentaammineruthenium]4(μ₄-2,3,5,6-tetrafluoro-7,7,8,8,-tetracyano-p-benzoquinodimethane)(PF6)8*3(acetone) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%		An amount of 150 mg (0.51 mmol) of pentaamminechlororuthenium(III) dichloride was dissolved in hot water, then the cooled solution was reacted with freshly prepared Zn-Hg at room temperature under an argon atmosphere for about 1 h. After complete reduction, the mixture was filtered over a Celite bed in the absence of air. An acetone solution of 27.6 mg (0.1 mmol) tetrafluorotetracyanoquinodimethane was then added slowly to the filtered solution. A green colour developed immediately, and the solution was stirred for 15 h. A saturated ammonium hexafluorophosphate solution in H2O was then added to the reaction mixture to precipitate the green compound which was washed repeatedly with an acetone/diethylether mixture (6/1). Finally, the solution was dried under reduced pressure and crystallized from acetone/dichloromethane at -4 C. Yield: 170 mg (76%). Anal. Calc. for C12H60F52N24P8Ru4 × 3 CH3COCH3 (fw = 2355.06): C, 10.71; H, 3.34; N, 14.27. Found: C, 10.74; H, 3.24; N, 14.74%. 1H NMR [250 MHz, acetone-d6]: 2.79 (s, br, 12H, NH3, ax), 3.19 (s, br, 48H, NH3, eq). 19F NMR [400 MHz, acetone-d6]: -71.11 (d, 1JP-F = 710 Hz, 48F, PF6), -147.80 (s, br, 4F, TCNQF4). FT-IR [solid]: 2149, 2099 cm-1 (nuC=N).

Reference： [1]Polyhedron,2012,vol. 44,p. 174 - 178

82
[ 29261-33-4 ]
BF₄^(1-)*C₁₁H₇NS₄*H⁽¹⁺⁾ [ No CAS ]
[ 34473-33-1 ]
[ 75-05-8 ]
C₂H₃N*2C₁₁H₇NS₄*2C₁₂F₄N₄*H⁽¹⁺⁾ [ No CAS ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 8673 - 8675

83
[ 29261-33-4 ]
[ 1420854-42-7 ]
[Cp₂Mo(N-ethyl-1,3-thiazoline-2-thione-4,5-dithiolate)][TCNQF₄] [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 2162 - 2173

84
[ 29261-33-4 ]
[ 1420854-43-8 ]
[Cp₂Mo(N-(2-hydroxyethyl)-1,3-thiazoline-2-thione-4,5-dithiolate)][TCNQF₄] [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 2162 - 2173

85
[ 29261-33-4 ]
[ 1420854-44-9 ]
[Cp₂Mo(N-methyl-1,3-thiazoline-2-thione-4,5-diselenolate)][TCNQF₄] [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 2162 - 2173

86
[ 29261-33-4 ]
[ 1420854-46-1 ]
[Cp₂Mo(N-ethyl-1,3-thiazoline-2-thione-4,5-diselenolate)][TCNQF₄] [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 2162 - 2173

87
[ 29261-33-4 ]
[ 1420854-41-6 ]
[Cp₂Mo(N-methyl-1,3-thiazoline-2-thione-4,5-dithiolate)][TCNQF₄] [ No CAS ]

Reference： [1]Inorganic Chemistry,2013,vol. 52,p. 2162 - 2173

88
[ 29261-33-4 ]
[ 1374226-12-6 ]
[ 1417031-22-1 ]

Yield	Reaction Conditions	Operation in experiment
91%	In dichloromethane; at 100℃; for 1h;Inert atmosphere;	Except that the click reagent was F4-TCNQ, all the other conditions were the same as 1b. The crude product was purified by column chromatography (SiO2, petroleum ether/ethyl acetate=1:3) to give 5b (0.0578 g, 91%) as a blue solid. 1H NMR (CDCl3, 300 MHz): delta=0.87 (m, 12 H), 1.12 (m, 42H), 1.26 (s, 104H), 1.60 (m, 8H), 4.29 (m, 8H), 7.53 (d, J=6.0 Hz, 4 H), 7.54 (d, J=6.3 Hz, 4H), 7.71 (s, 2H) ppm. FT-IR (KBr): nu=2924, 2853, 2200, 1598, 1521, 1466, 1389, 1355, 1191, 1034, 970, 814, 679 cm-1. MALDI-TOF-MS (dithranol): m/z: calcd for C120H184F4N6Si2: 1841.41 g mol-1, found: 1842.5 g mol-1 [MH]+; elemental analysis calcd (%) for C120H184F4N6Si2 (1841.41): C 78.21, H 10.06, N 4.56; found: C 78.23, H 10.07, N 4.55.

Reference： [1]Tetrahedron,2013,vol. 69,p. 895 - 901

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P321
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P337	If eye irritation persists:
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
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P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P370 + P376	In case of fire: Stop leak if safe to Do so.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H221	Flammable gas
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
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H303	May be harmful if swallowed
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 29261-33-4 ] {[proInfo.proName]}

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[ 29261-33-4 ] Synthesis Path-Downstream 1~88

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