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3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE

3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE structure

CAS No:
914225-61-9
Formula:
C7H4ClF4N
Chemical Name:
3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE
Synonyms:
3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE;3-Chloro-4-fluoro-5-(trifluoromethyl)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE Basic Attributes

Molecular Weight：

213.5599728

Exact Mass：

212.996841

DSSTox ID：

DTXSID30652293

Characteristics

PSA：

XLogP3：

2.9

Density：

1.5±0.1 g/cm3

Boiling Point：

235.7±40.0°C at 760 mmHg

Flash Point：

96.4±27.3 °C

Refractive Index：

1.483

3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE Use and Manufacturing

In a 100 mL round-bottomed flask, di(lH-imidazol-l-yl)methanethione (1.25 g, 7.02 mmol, Eq: 1.5) was combined with CH2CI2 (30 mL) to give a colorless solution. 3-chloro-4- fluoro-5-(trifluoromethyl)aniline (lg, 4.68 mmol, Eq: 1.00) in CH2CI2 (20 mL) was added dropwise at 0C. The reaction was allowed to warm to room temperature, and allowed to stir overnight. Concentrate the solution, the compound was isolated by column chromatography (CH2C12/Hexanes = 80/20) to give the product 0.8 g (67%).

Computed Properties

Molecular Weight:213.56
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:212.9968395
Monoisotopic Mass:212.9968395
Topological Polar Surface Area:26
Heavy Atom Count:13
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE

CAS No.: 914225-61-9

Grade: industrial Grade

Content: 98%

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Guide of 3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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3-CHLORO-4-FLUORO-5-(TRIFLUOROMETHYL)ANILINE

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