3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

Name: 3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile
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CAS No. 19005-66-4
Cat. No. CS-1039930
Purity≥95%
MDL No.None

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile|CS-1039930

Structure of 19005-66-4

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General Information

CAS No. 19005-66-4
Cat. No. CS-1039930
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅N₅O₂
Molecular Weight 215.17
Synonym(s) None
SMILES N#CC1=CC=C(C(=C1)N(=O)=O)N2N=CN=C2

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 97.64
LogP 1.04718
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzonitrile

CAS No. 19005-66-4

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