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4-(Trifluoromethyl)-1H-imidazole

Product Name
4-(Trifluoromethyl)-1H-imidazole
CAS No.
33468-69-8
Chemical Name
4-(Trifluoromethyl)-1H-imidazole
Synonyms
4-TrifluoroMethyliMidazole;EOS-60687;4(5)-(Trifluoromethyl)imidazole;4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE;1H-Imidazole, 5-(trifluoromethyl)-;4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE(I);4-(Trifluoromethyl)-1H-imidazole 98%
CBNumber
CB8763109
Molecular Formula
C4H3F3N2
Formula Weight
136.08
MOL File
33468-69-8.mol
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4-(Trifluoromethyl)-1H-imidazole Property

Melting point:
149-150
Boiling point:
224.7±35.0 °C(Predicted)
Density 
1.440±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
10.29±0.10(Predicted)
form 
Solid
color 
White to Almost white
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey
DFLGRTIPTPCKPJ-UHFFFAOYSA-N
SMILES
C1NC(C(F)(F)F)=CN=1
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
22-36/37/38-40
Safety Statements 
26-36/37-24/25
Hazard Note 
Irritant
HS Code 
29349990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
CDS005796
Product name
4-(Trifluoromethyl)-1H-imidazole
Purity
AldrichCPR
Packaging
100MG
Price
$68.1
Updated
2023/06/20
TCI Chemical
Product number
T2928
Product name
4(5)-(Trifluoromethyl)imidazole
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$191
Updated
2025/07/31
TRC
Product number
T790645
Product name
4-Trifluoromethyl-1H-imidazole
Packaging
10g
Price
$395
Updated
2021/12/16
Apolloscientific
Product number
PC9869
Product name
4-(Trifluoromethyl)-1H-imidazole
Purity
98%
Packaging
1g
Price
$19
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-3-88
Product name
4-(Trifluoromethyl)-1H-imidazole
Purity
97%
Packaging
1g
Price
$33
Updated
2021/12/16
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4-(Trifluoromethyl)-1H-imidazole Chemical Properties,Usage,Production

Chemical Properties

Off-white crystalline powder

Uses

4-Trifluoromethyl-1H-imidazole acts as an inhibitor of sweet almond β-glucosidase. It is used as a reagent used in the synthesis of 3-substituted 2-aminopyridines via displacement of 3-fluoro-2-nitropyridine.

Synthesis

431-35-6

77287-34-4

33468-69-8

Procedure for the synthesis of 4-(trifluoromethyl)-1H-imidazole: 3-bromo-1,1,1-trifluoropropan-2-one (25.0 g, 131 mmol, Aldrich Item No. 374059) and formamide (104 mL, 2.62 mol) were sequentially added to a 500 mL round bottom flask. The reaction mixture was slowly heated to reflux temperature (about 140 °C) and kept at reflux for 2.5 hours of reaction. Upon completion of the reaction, the mixture was cooled to room temperature, diluted with 200 mL of 10% aqueous K2CO3 solution and subsequently extracted with ether (5 x 200 mL). The organic phases were combined, washed sequentially with 10% aqueous K2CO3 (2 x 100 mL) and deionized water (2 x 100 mL), dried over anhydrous MgSO4, filtered and concentrated under reduced pressure to give a brown solid. The resulting solid was washed with dichloromethane (DCM) to finalize 4-(trifluoromethyl)-1H-imidazole (4.0 g, 22% yield) as a brown solid. The structure of the product was confirmed by 1H NMR (CD3OD): δ 7.82 (s, 1H), 7.60 (s, 1H).

References

[1] Patent: WO2010/83246, 2010, A1. Location in patent: Page/Page column 100

4-(Trifluoromethyl)-1H-imidazole Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(Trifluoromethyl)-1H-imidazole Suppliers

Suzhou Guide Fine Material Co.Ltd.
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0512-66627360 13914021065
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0512-66627360
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706938434@qq.com
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China
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Nanjing Easichem Co. ltd.
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18061688856
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easichem@126.com
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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021-67582001/03/05
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saleschina@alfa-asia.com
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TCI (Shanghai) Development Co., Ltd.
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021-67121386
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Sales-CN@TCIchemicals.com
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956
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Accela ChemBio Co.,Ltd.
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021-50795055
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China
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View Lastest Price from 4-(Trifluoromethyl)-1H-imidazole manufacturers

Zibo Hangyu Biotechnology Development Co., Ltd
Product
4-(Trifluoromethyl)-1H-imidazole 33468-69-8
Price
US $500.00-190.00/g
Min. Order
5g
Purity
99%
Supply Ability
50
Release date
2024-07-12
Shaanxi Dideu Medichem Co. Ltd
Product
4-(Trifluoromethyl)-1H-imidazole 33468-69-8
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20T
Release date
2024-08-14
Career Henan Chemical Co
Product
4-(Trifluoromethyl)-1H-imidazole 33468-69-8
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
200kg
Release date
2019-12-24