2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline

Name: 2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline
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CAS No. 438019-67-1
Cat. No. CS-0072256
Molecule weight228.17
Purity≥97%
MDL No.MFCD02712729

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline|CS-0072256

Structure of 438019-67-1

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General Information

CAS No. 438019-67-1
Cat. No. CS-0072256
Purity ≥97%
MDL No. MFCD02712729
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇F₃N₄
Molecular Weight 228.17
Synonym(s) None
SMILES FC(F)(F)C1=CC(N)=C(C=C1)N2N=CN=C2

Synthesis

Route1
- 314250-25-4
- ~85%
- 438019-67-1
References
- Zarudnitskii, Evgenij V.; Ivanov, Vladimir V.; Yurchenko, Alexandr A.; Pinchuk, Alexandr M.; Tolmachev, Andrej A. Heteroatom Chemistry, 2002 , vol. 13, # 2 p. 146 - 152
Route2
- 121-17-5
- ~%
- 438019-67-1
References
- Zarudnitskii, Evgenij V.; Ivanov, Vladimir V.; Yurchenko, Alexandr A.; Pinchuk, Alexandr M.; Tolmachev, Andrej A. Heteroatom Chemistry, 2002 , vol. 13, # 2 p. 146 - 152

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 56.73
LogP 1.8683
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethyl)aniline

CAS No. 438019-67-1

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