158712-29-9
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Basic information
- Product Name: 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Synonyms: RARECHEM AL BE 1068;1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID;1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylicacid97%
- CAS NO:158712-29-9
- Molecular Formula: C13H8F6N2O3
- Molecular Weight: 354.2
- EINECS: N/A
- Product Categories: N/A
- Mol File: 158712-29-9.mol
- Article Data: 0
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Chemical Properties
- Melting Point: 192-194°C
- Boiling Point: 368.3±42.0 °C(Predicted)
- Flash Point: N/A
- Appearance: /
- Density: 1.54±0.1 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 2.07±0.50(Predicted)
- CAS DataBase Reference: 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
- NIST Chemistry Reference: 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID(158712-29-9)
- EPA Substance Registry System: 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID(158712-29-9)
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Safety Data
- Hazard Codes: Xi
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: IRRITANT
- PackingGroup: N/A
- Hazardous Substances Data: 158712-29-9(Hazardous Substances Data)
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158712-29-9 Usage
Molecular Structure
1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID contains a complex molecular structure with a pyrazole ring and multiple fluorine substituents.Type of Compound
It is a carboxylic acid derivative, which can potentially form salts or esters.Potential Applications
The compound may have pharmaceutical or agrochemical applications due to its structural features.Biological Activity
The trifluoromethyl and phenoxy groups in the compound may contribute to its biological activity.Solubility and Bioavailability
The carboxylic acid functionality could make the compound suitable for formulation as a salt or ester, offering potential for improved solubility and bioavailability.Further Evaluation
The specific properties and potential applications of the compound would need to be further evaluated through medicinal chemistry or crop science studies.Check Digit Verification of cas no
The CAS Registry Mumber 158712-29-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,8,7,1 and 2 respectively; the second part has 2 digits, 2 and 9 respectively.Calculate Digit Verification of CAS Registry Number 158712-29:
(8*1)+(7*5)+(6*8)+(5*7)+(4*1)+(3*2)+(2*2)+(1*9)=149
149 % 10 = 9
So 158712-29-9 is a valid CAS Registry Number.
158712-29-9Upstream product
158712-29-9Downstream Products
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1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBOXYLIC ACID
