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3-Amino-4-trifluoromethylpyridine

3-Amino-4-trifluoromethylpyridine structure

CAS No:
175204-80-5
Formula:
C6H5F3N2
Chemical Name:
3-Amino-4-trifluoromethylpyridine
Synonyms:
3-Pyridinamine,4-(trifluoromethyl)-;4-(Trifluoromethyl)-3-pyridinamine;3-Amino-4-trifluoromethylpyridine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Amino-4-trifluoromethylpyridine Basic Attributes

Molecular Weight：

162.11

Exact Mass：

162.11

EC Number：

1312995-182-4

DSSTox ID：

DTXSID60371046

HScode：

2933399090

Characteristics

PSA：

38.9

XLogP3：

1.1

Density：

1.368±0.06 g/cm3(Predicted)

Melting Point：

49-52°C

Boiling Point：

63°C1,5mm

Flash Point：

106.7±25.9 °C

Refractive Index：

1.479

Safety Information

hazard class code：

20/21/22-36/37/38-34-22-43-36-25

safety instructions：

22-36/37/39-36/37-45-26

Marks：

Xi,Xn,C,T

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-4-trifluoromethylpyridine Use and Manufacturing

Oxalylchloride (132 muL, 1.5 mmol) was added dropwise to a stirred suspension ofbenzoic acid 124 (350 mg, 1.0 mmol) and DMF (1 drop) in dry THF (20 mL) and thesolution was stirred at 20 C. for 2 h, then at 66 C. for 1 h. The solutionwas cooled to 20 C., then the solvent was evaporated and the residue dissolvedin dry pyridine (10 mL). 4-Trifluoromethyl-3-pyridinylamine (180mg, 1.1 mmol) was added and the solution stirred at 20 C. for 16 h. Thesolvent was evaporated and the residue suspended in ice/water (50 mL) for 1 h.The precipitate was filtered, washed with water (5 mL) and dried. The crudesolid was purified by column chromatography, eluting with EtOAc, to givebenzamide 140 (265 mg, 53%)

Computed Properties

Molecular Weight:162.11
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:162.04048265
Monoisotopic Mass:162.04048265
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 175204-80-5

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3-Amino-4-trifluoromethylpyridine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3-Amino-4-trifluoromethylpyridine

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