ChemicalBook--->CAS DataBase List--->1027338-06-2

1027338-06-2

1027338-06-2 Structure

1027338-06-2 Structure
IdentificationBack Directory
[Name]

3-Hydroxy-1,2:5,6-Dibenzocyclooct-7-Yne
[CAS]

1027338-06-2
[Synonyms]

3-Hydroxy-1,2
4-DIBENZOCYCLOOCTYNOL
5,6-Dibenzocyclooct-7-Yne
Dibenzo[a,e]cycloocten-5-ol
5-Hydroxy-3,4:7,8-dibenzocyclooct-1-yne
3-Hydroxy-1,2:5,6-Dibenzocyclooct-7-Yne
5-Hydroxy-1,2:5,6-dibenzocyclooct-7-yne
5,6-Dihydro-11,12-didehydrodibenzo[a,e]cycloocten-5-ol
Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-
[Molecular Formula]

C16H12O
[MDL Number]

MFCD20922195
[MOL File]

1027338-06-2.mol
[Molecular Weight]

220.27
Chemical PropertiesBack Directory
[Melting point ]

135-136 °C
[Boiling point ]

387.4±41.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

13.65±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H12O/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-8,16-17H,11H2
[InChIKey]

VEKJQXKBHZVGBK-UHFFFAOYSA-N
[SMILES]

C12=CC=CC=C1C#CC1=CC=CC=C1CC2O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

3-Hydroxy-1,2:5,6-dibenzocyclooct-7-yne is a useful research chemical used in the selective labeling of living cells by a photo-triggered click reaction for metal-free ligation of azides.
[References]

[1] Journal of the American Chemical Society, 2012, vol. 134, # 41, p. 17274 - 17277,4
[2] Patent: WO2014/22535, 2014, A1. Location in patent: Paragraph 0082
[3] Patent: WO2014/22501, 2014, A2. Location in patent: Paragraph 00103
[4] ChemBioChem, 2011, vol. 12, # 12, p. 1912 - 1921
[5] Patent: US2016/159732, 2016, A1. Location in patent: Page/Page column 0117
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-1,2:5,6-Dibenzocyclooct-7-Yne(1027338-06-2)1HNMR
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