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CAS

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119963-45-0

4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane

    Cas No: 119963-45-0

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  • 119963-45-0 Structure

  • Basic information

    1. Product Name: 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane
    2. Synonyms: 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane
    3. CAS NO:119963-45-0
    4. Molecular Formula: C16H19NO3S
    5. Molecular Weight: 305.39
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 119963-45-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 397.5°Cat760mmHg
    3. Flash Point: 194.2°C
    4. Appearance: /
    5. Density: 1.21g/cm3
    6. Vapor Pressure: 3.62E-06mmHg at 25°C
    7. Refractive Index: 1.585
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane(119963-45-0)
    12. EPA Substance Registry System: 4-(t-butyl)-1-(4-isothiocyanatophenyl)-2,6,7-trioxabicyclo(2.2.2)octane(119963-45-0)

  • 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: 119963-45-0(Hazardous Substances Data)

119963-45-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 119963-45-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,9,9,6 and 3 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 119963-45:
(8*1)+(7*1)+(6*9)+(5*9)+(4*6)+(3*3)+(2*4)+(1*5)=160
160 % 10 = 0
So 119963-45-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H19NO3S/c1-14(2,3)15-8-18-16(19-9-15,20-10-15)12-4-6-13(7-5-12)17-11-21/h4-7H,8-10H2,1-3H3

119963-45-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-butyl-4-(4-isothiocyanatophenyl)-3,5,8-trioxabicyclo[2.2.2]octane

1.2 Other means of identification

Product number -
Other names p-Ncs-tbob

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:119963-45-0 SDS

119963-45-0Downstream Products

119963-45-0Relevant articles and documents

Novel Site-Directed Affinity Ligands for GABA-Gated Chloride Channels: Synthesis, Characterization, and Molecular Modeling of 1-(Isothiocyanatophenyl)-4-tert-butyl-2,6,7-trioxabicyclooctanes

Costa, Brian R., de,Lewin, Anita H.,Rice, Kenner C.,Skolnick, Phil,Schoenheimer, Joyce A.

, p. 1531 - 1538 (2007/10/02)

p-, m-, and o-Isothiocyanate derivatives (1-3, respectively) of tert-butylbicycloorthobenzoate (TBOB) were synthesized from 3-tert-butyloxethane-3-methanol (4) as the starting material.While 2 was readily obtained in four steps via catalytic hydrogenation

A PRACTICAL SYNTHESIS OF ISOTOPICALLY LABELLED 1-(4-ISOTHIOCYANATOPHENYL)-4-(t-BUTYL)-2,6,7-TRIOXABICYCLOOCTANE, A PROBE FOR THE BENZODIAZEPINE RECEPTOR-COUPLED CHLORIDE IONOPHORE

Costa, Brian R. de,Lewin, Anita,Schoenheimer, Joyce A.,Skolnick, Phil,Rice, Kenner C.

, p. 2343 - 2355 (2007/10/02)

An efficient synthesis of high specific activity 1-(4-isothiocyanato-3,5-ditritiophenyl)-4-(t-butyl)-2,6,7-trioxabicyclooctane (-1), an affinity ligand for the benzodiazepine (BZ)-coupled γ-aminobutyric acid (GABA)-gated chloride channel, w

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