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4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine

4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine structure

CAS No:
123066-64-8
Formula:
C11H7F6N3
Chemical Name:
4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine
Synonyms:
4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine;4-(3,5-Bis(trifluoroMethyl)-1H-pyrazol-1-yl)aniline;CRAC intermediate 2;4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
Categories:
Chemical Reagents > Organic Reagents

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Description

CRAC intermediate 2 is a intermediate compound for CRAC inhibitor synthesis, extracted from patent WO 2013059666A1.

4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine Basic Attributes

Molecular Weight：

295.1837992

Exact Mass：

295.054413

DSSTox ID：

DTXSID10372386

HScode：

2933199090

Characteristics

PSA：

43.8

XLogP3：

3.1

Density：

1.52±0.1 g/cm3(Predicted)

Melting Point：

140-142 °C

Boiling Point：

298.4±40.0 °C(Predicted)

Flash Point：

134.3±27.3 °C

Refractive Index：

1.506

Water Solubility：

12.9 [ug/mL]

Vapor Pressure：

0.00127mmHg at 25°C

4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine Use and Manufacturing

EtOAc (44 mL), Pd/C (1.3 g) and l-(4-nitrophenyl)-3, 5- bis(trifluoromethyl)-lH-pyrazole (4.4 g, 13.5 mmol) are added under hydrogen atmosphere. After stirring at room temperature for 2 hours the resulting mixture is filtered under vacuo over a pad of celite, rinsed with EtOAc and evaporated to give compound 13 as a pale yellow solid (3.75 g, 12.7 mmol, 94percent). Analytical data:1H-NMR (300 MHz; CDC1

Computed Properties

Molecular Weight:295.18
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:295.05441621
Monoisotopic Mass:295.05441621
Topological Polar Surface Area:43.8
Heavy Atom Count:20
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine

Compound Net Biotechnology Inc. Contact Supplier

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

123066-64-8 4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline

CAS No.: 123066-64-8

Grade: Industrial Grade

Content: 95%

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Guide of 4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine

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