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1208-05-5

3-Phenyl-5-(trichloromethyl)-1,2,4-oxadiazole is a chemical compound with the molecular formula C9H4Cl3N2O2. It is a derivative of 1,2,4-oxadiazole, a five-membered heterocyclic ring containing two nitrogen atoms and one oxygen atom. The compound features a phenyl group (C6H5) attached to the 3-position of the oxadiazole ring and a trichloromethyl group (CCl3) at the 5-position. This molecule is known for its potential applications in various fields, such as pharmaceuticals, agrochemicals, and materials science, due to its unique chemical properties and reactivity. The presence of the trichloromethyl group makes it a valuable intermediate in the synthesis of other compounds, while the phenyl group provides additional opportunities for functionalization and modification.

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  • 1208-05-5 Structure

  • Basic information

    1. Product Name: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole
    2. Synonyms: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole
    3. CAS NO:1208-05-5
    4. Molecular Formula: C9H5Cl3N2O
    5. Molecular Weight: 263.5078
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1208-05-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 313.2°C at 760 mmHg
    3. Flash Point: 143.2°C
    4. Appearance: N/A
    5. Density: 1.503g/cm3
    6. Vapor Pressure: 0.000926mmHg at 25°C
    7. Refractive Index: 1.58
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole(1208-05-5)
    12. EPA Substance Registry System: 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole(1208-05-5)

  • 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: 1208-05-5(Hazardous Substances Data)

1208-05-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1208-05-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,2,0 and 8 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1208-05:
(6*1)+(5*2)+(4*0)+(3*8)+(2*0)+(1*5)=45
45 % 10 = 5
So 1208-05-5 is a valid CAS Registry Number.

1208-05-5SDS

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 3-Phenyl-5-(trichloromethyl)-1,2,4-oxadiazole

1.2 Other means of identification

Product number -
Other names 3-Phenyl-5-trichloromethyl-1,2,4-oxadiazole

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:1208-05-5 SDS

1208-05-5Relevant articles and documents

The optimization of xanthine derivatives leading to HBK001 hydrochloride as a potent dual ligand targeting DPP-IV and GPR119

Li, Gang,Meng, Bingxu,Yuan, Baokun,Huan, Yi,Zhou, Tian,Jiang, Qian,Lei, Lei,Sheng, Li,Wang, Weiping,Gong, Ningbo,Lu, Yang,Ma, Chen,Li, Yan,Shen, Zhufang,Huang, Haihong

, (2020/01/09)

A series of xanthine compounds derived from the previous hit 20i with modification on the terminal side chain was discovered through ring formation strategy. Systematic optimization of the compounds with rigid heterocycles in the hydrophobic side chain led to the new lead compound HBK001 (21h) with the improved DPP-IV inhibition and moderate GPR119 agonism activity in vitro. As a continuing work to further study the PK and PD profiles, 21h and its hydrochloride (22) were synthesized on grams scale and evaluated on the ADME/T and oral glucose tolerance test (OGTT) in ICR mice. Compound 22 showed the improved bioavailability and blood glucose-lowering effect in vivo compared to its free base 21h probably attributed to its improved solubility and permeability. The preliminary toxicity studies on compound 22 exhibited that the result of mini-Ames was negative and the preliminary acute toxicity LD50 in mice was above 1.5 g/kg, while it showed moderate inhibition on hERG channel with IC50 4.9 μM maybe due to its high lipophilicity. These findings will be useful for the future drug design for more potent and safer dual ligand targeting DPP-IV and GPR119 for the treatment of diabetes.

Synthesis, characterisation, and reactivity of novel pseudocyclic hypervalent iodine reagents with heteroaryl carbonyl substituents

Qurban, Jihan,Elsherbini, Mohamed,Alharbi, Haifa,Wirth, Thomas

supporting information, p. 7998 - 8000 (2019/07/12)

Two new hypervalent iodine reagents containing furan and thiophene moieties in addition to a carbonyl group in the vicinity of the iodine atom were synthesised and characterised. The X-ray analysis of both compounds revealed a strong intramolecular contact between the carbonyl oxygen and the hypervalent iodine atom with tosylate as a counter ion. The two reagents showed a broad range of synthetic applications and proved to be versatile oxidizing agents.

Preparation, structure, and versatile reactivity of pseudocyclic benziodoxole triflate, new hypervalent iodine reagent

Yoshimura, Akira,Nguyen, Khiem C.,Klasen, Scott C.,Saito, Akio,Nemykin, Victor N.,Zhdankin, Viktor V.

supporting information, p. 7835 - 7838 (2015/05/13)

A new pseudocyclic triflate derivative of benziodoxole (IBA-OTf) was prepared and characterized by X-ray analysis. This highly electrophilic reagent readily reacts with various organic substrates to give the corresponding products in good yields. Furthermore, IBA-OTf can be used as a catalyst with m-chloroperoxybenzoic acid as the terminal oxidant. This journal is

1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS

-

Page/Page column 92, (2010/10/20)

Compounds represented by Formula I: (wherein A, B, D, P, Q, R1, R2, R3, W and Y are described herein) or pharmaceutically acceptable salts thereof, are effective as NMDA/NR2B antagonists useful for treating neurological co

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