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TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE is a pyrazole derivative chemical compound characterized by the molecular formula C12H18N2O3. It features a tertiary butyl group and an ester functional group, which contribute to its versatile chemical properties. TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE is widely recognized for its role as an intermediate in the synthesis of pharmaceutical and agrochemical products, as well as its potential applications in medicine and agriculture.

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  • 844891-13-0 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE
    2. Synonyms: TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE;3,5-DIMETHYL-4-FORMYL-1H-PYRAZOLE, N1-BOC PROTECTED;3,5-Dimethyl-4-formyl-1H-pyrazole, N1-BOC protected 97%;N1-BOC-3,5-DIMETHYL-4-FORMYL-1H-PYRAZOLE;3,5-Dimethyl-4-formyl-1H-pyrazole,N1-BOCprotected97%
    3. CAS NO:844891-13-0
    4. Molecular Formula: C11H16N2O3
    5. Molecular Weight: 224.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 844891-13-0.mol
  • Chemical Properties

    1. Melting Point: 59 °C
    2. Boiling Point: 338.2 °C at 760 mmHg
    3. Flash Point: 158.3 °C
    4. Appearance: /
    5. Density: 1.12 g/cm3
    6. Vapor Pressure: 9.99E-05mmHg at 25°C
    7. Refractive Index: 1.519
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE(844891-13-0)
    12. EPA Substance Registry System: TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE(844891-13-0)
  • 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: 844891-13-0(Hazardous Substances Data)

844891-13-0 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE is used as a key intermediate in the synthesis of various pharmaceutical products. Its unique chemical structure allows it to be incorporated into the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical sector, TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE serves as an essential component in the production of agrochemicals. Its chemical properties make it suitable for the creation of compounds with biological activities that can be utilized in agriculture for pest control and crop protection.
Used in Organic Compounds Synthesis:
TERT-BUTYL 4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE is also used in the synthesis of various organic compounds with biological activities. Its versatile chemical properties enable it to be a valuable building block in the development of new organic compounds with potential applications in different fields, including medicine and agriculture.

Check Digit Verification of cas no

The CAS Registry Mumber 844891-13-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,4,8,9 and 1 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 844891-13:
(8*8)+(7*4)+(6*4)+(5*8)+(4*9)+(3*1)+(2*1)+(1*3)=200
200 % 10 = 0
So 844891-13-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H16N2O3/c1-7-9(6-14)8(2)13(12-7)10(15)16-11(3,4)5/h6H,1-5H3

844891-13-0SDS

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 tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 4-formyl-3,5-dimethylpyrazole-1-carboxylate

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:844891-13-0 SDS

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