4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE is a chemical compound belonging to the isoxazole family, characterized by the molecular formula C10H7N3O2. It features an isocyanate functional group and is recognized for its unique chemical structure and reactivity, which makes it a valuable intermediate in the chemical industry. This versatile building block is utilized in the synthesis of pharmaceuticals, agrochemicals, and advanced materials, highlighting its importance in organic synthesis.

352018-89-4

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Basic information
1. Product Name: 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE
2. Synonyms: 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE;BUTTPARK 95\50-99;3-Methyl-5-phenylisoxazol-4-yl isocyanate;Isoxazole, 4-isocyanato-3-methyl-5-phenyl- (9CI)
3. CAS NO:352018-89-4
4. Molecular Formula: C₁₁H₈N₂O₂
5. Molecular Weight: 200.19
6. EINECS: N/A
7. Product Categories: ISOCYANATE
8. Mol File: 352018-89-4.mol
Chemical Properties
1. Melting Point: 79 °C
2. Boiling Point: 347.7°C at 760 mmHg
3. Flash Point: 164.1°C
4. Appearance: /
5. Density: 1.21g/cm³
6. Vapor Pressure: 5.27E-05mmHg at 25°C
7. Refractive Index: 1.598
8. Storage Temp.: N/A
9. Solubility: N/A
10. PKA: -3.73±0.50(Predicted)
11. CAS DataBase Reference: 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE(CAS DataBase Reference)
12. NIST Chemistry Reference: 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE(352018-89-4)
13. EPA Substance Registry System: 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE(352018-89-4)
Safety Data
1. Hazard Codes: Xn
2. Statements: 20/21/22-36/37/38-22
3. Safety Statements: 26-36/37/39
4. RIDADR: 2206
5. WGK Germany:
6. RTECS:
7. HazardClass: N/A
8. PackingGroup: N/A
9. Hazardous Substances Data: 352018-89-4(Hazardous Substances Data)

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352018-89-4 Usage

Uses

Used in Pharmaceutical Industry:
4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE is used as a key intermediate in the synthesis of various pharmaceuticals due to its ability to form a wide range of chemical compounds. Its unique structure and reactivity contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE serves as a crucial building block for the production of agrochemicals. Its versatility in organic synthesis allows for the creation of compounds with pesticidal properties, contributing to crop protection and increased agricultural productivity.
Used in Advanced Materials:
4-ISOCYANATO-3-METHYL-5-PHENYLISOXAZOLE is utilized as a precursor in the development of advanced materials, such as polymers and composites, due to its unique chemical properties. Its incorporation into these materials can enhance their performance characteristics, making them suitable for various high-tech applications.

Check Digit Verification of cas no

The CAS Registry Mumber 352018-89-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,5,2,0,1 and 8 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 352018-89:
(8*3)+(7*5)+(6*2)+(5*0)+(4*1)+(3*8)+(2*8)+(1*9)=124
124 % 10 = 4
So 352018-89-4 is a valid CAS Registry Number.

InChI:InChI=1/C11H8N2O2/c1-8-10(12-7-14)11(15-13-8)9-5-3-2-4-6-9/h2-6H,1H3

352018-89-4Upstream product

352018-89-4Downstream Products

905846-50-6 C₅₁H₈₅N₅O₁₄

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