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77788-21-7

(3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole is a complex organic compound featuring a benzotriazole ring system with a diazeto group attached. It also has a 4-chlorophenyl group connected to the benzotriazole ring, which may contribute to its potential pharmaceutical or industrial applications. The unique molecular structure of this compound could provide specific properties and functions for various purposes, such as in drug development, material science, or organic synthesis.

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  • 77788-21-7 Structure

  • Basic information

    1. Product Name: (3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole
    2. Synonyms: (1R,2R,6S,7R,8R,11S)-5-(4-Chlorophenyl)-3,4,5,9,10-pentaazatetracyclo[5.4.1.0~2,6~.0~8,11~]dodeca-3,9-diene; (1R,2R,6S,7R,8R,11S)-5-(4-Chlorphenyl)-3,4,5,9,10-pentaazatetracyclo[5.4.1.0~2,6~.0~8,11~]dodeca-3,9-dien; 4,7-methano-1H-[1,2]diazeto[3,4-f]-1,2,3-benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-, (3aR,4R,4aS,6aR,7R,7aS)-; 77788-21-7
    3. CAS NO:77788-21-7
    4. Molecular Formula: C13H12ClN5
    5. Molecular Weight: 273.7209
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 77788-21-7.mol
    9. Article Data: 1

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 407.4°C at 760 mmHg
    3. Flash Point: 200.2°C
    4. Appearance: N/A
    5. Density: 1.97g/cm3
    6. Vapor Pressure: 7.54E-07mmHg at 25°C
    7. Refractive Index: 2.029
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole(77788-21-7)
    12. EPA Substance Registry System: (3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole(77788-21-7)

  • 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: 77788-21-7(Hazardous Substances Data)

77788-21-7 Usage

Uses

Used in Pharmaceutical Applications:
(3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole is used as a potential pharmaceutical agent for drug development due to its unique molecular structure. Its benzotriazole and diazeto groups may offer specific binding affinities or interactions with biological targets, which could be harnessed for the treatment of various diseases or conditions.
Used in Material Science:
In the field of material science, (3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole may be utilized for the development of new materials with specific properties. Its molecular structure could contribute to the creation of materials with unique electronic, optical, or mechanical characteristics, depending on the intended application.
Used in Organic Synthesis:
(3aR,4R,4aS,6aR,7R,7aS)-1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole can be employed as an intermediate or building block in organic synthesis. Its complex structure may allow for the synthesis of other compounds with potential applications in various industries, such as pharmaceuticals, agrochemicals, or specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 77788-21-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,7,8 and 8 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 77788-21:
(7*7)+(6*7)+(5*7)+(4*8)+(3*8)+(2*2)+(1*1)=187
187 % 10 = 7
So 77788-21-7 is a valid CAS Registry Number.

77788-21-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tetcyclacis

1.2 Other means of identification

Product number -
Other names Ken BYO

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:77788-21-7 SDS

77788-21-7Relevant articles and documents

1.3-Dipolare Additionen an 3.4-Diazatricyclo2.5>nona-3.7-dien und 3.4-Diazatricyclo2.5>nona-7-en-Derivate

Rieber, N.,Boehm, H.

, p. 1 - 7 (2007/10/02)

Die Umsetzung von 3.4-Diazatricyclononadien 1 und 3.4-Diazatricyclononen-Derivaten 2-4 mit 1.3-dipolaren Agentien fuehrt to wachstumsregulierenden tetracyclischen Triazolinen 5-8, Isoxazolinen 15-17, Pyrazolinen 18-22 und weiteren Abwandlungsprodukten 9-14 bzw. 23.

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