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3-Hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one is a complex organic compound with the molecular formula C13H14O2. It is a derivative of benzo[7]annulene, a type of annulene, which is a cyclic, planar polyene with alternating single and double bonds. The compound features a hydroxyl group (-OH) at the 3-position and a carbonyl group (C=O) at the 5-position, with the remaining carbon atoms forming a tetrahydro structure. This molecule is of interest in organic chemistry and may have potential applications in the synthesis of various pharmaceuticals and other chemical compounds due to its unique structure and functional groups.

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  • 5454-03-5 Structure
  • Basic information

    1. Product Name: 3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
    2. Synonyms:
    3. CAS NO:5454-03-5
    4. Molecular Formula: C11H12O2
    5. Molecular Weight: 176.2118
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5454-03-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 356.1°C at 760 mmHg
    3. Flash Point: 151.8°C
    4. Appearance: N/A
    5. Density: 1.183g/cm3
    6. Vapor Pressure: 1.46E-05mmHg at 25°C
    7. Refractive Index: 1.581
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one(5454-03-5)
    12. EPA Substance Registry System: 3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one(5454-03-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5454-03-5(Hazardous Substances Data)

5454-03-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5454-03-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,5 and 4 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5454-03:
(6*5)+(5*4)+(4*5)+(3*4)+(2*0)+(1*3)=85
85 % 10 = 5
So 5454-03-5 is a valid CAS Registry Number.

5454-03-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

1.2 Other means of identification

Product number -
Other names 3-hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5454-03-5 SDS

5454-03-5Relevant articles and documents

A cell-permeable and triazole-forming fluorescent probe for glycoconjugate imaging in live cells

Shie, Jiun-Jie,Liu, Ying-Chih,Hsiao, Jye-Chian,Fang, Jim-Min,Wong, Chi-Huey

, p. 1490 - 1493 (2017/02/05)

A new fluorescence-forming probe, coumOCT, designed by fusing cyclooctyne with a coumarin fluorophore was successfully used for the imaging of azido-glycoconjugates in living HeLa cells. This probe is cell-permeable and generates fluorescence after triazole formation, thus minimizing the background signal and enabling the real-time intracellular imaging of glycoconjugate trafficking.

REACTIVE LABELLING COMPOUNDS AND USES THEREOF

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, (2015/11/16)

Provided are azido-BODIPY compounds of formula (I), cyclooctyne-based fluorogenic probes of formula (IV), and activity-based probes of formula (VI). These compounds undergo azide alkyne cycloadditions (AAC) with to form triazolyl products. The provided compounds are useful for detection and imaging of alkyne-, or azide-containing molecules. Methods for detection and imaging biomolecules using compounds of the present disclosure are disclosed.

REACTIVE LABELLING COMPOUNDS AND USES THEREOF

-

, (2015/12/08)

Provided are azido-BODIPY compounds of formula (I), cyclooctyne-based fluorogenic probes of formula (IV), and activity-based probes of formula (VI). These compounds undergo azide-alkyne cycloadditions (AAC) with to form triazolyl products. The provided compounds are useful for detection and imaging of alkyne-, or azide-containing molecules. Methods for detection and imaging biomolecules using compounds of the present disclosure are disclosed.

BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF

-

, (2014/03/25)

Provided are benzocyclooctyne compounds of formula (I). These compounds undergo strain-promoted azide-alkyne cyclo additions (SPAAC) without presence of toxic metal catalysts. The provided compounds are useful for diagnosis and imaging of azide-containing molecules. Methods for detection and imaging biomolecules using compounds of the present disclosure are disclosed.

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