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Methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate

Methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate - CAS 406470-74-4

Catalog:	BB046131
Product Name:	Methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate
CAS:	406470-74-4
Synonyms:	4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester; Methyl 4-((3-nitro-1H-1,2,4-triazol-1-yl)methyl)benzoate; methyl 4-[(3-nitro-1,2,4-triazolyl)methyl]benzoate

Technical Data

Computed Properties

IUPAC Name:	methyl 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoate
Description:	Methyl 4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate (CAS# 406470-74-4 ) is a useful research chemical.
Molecular Weight:	262.22
Molecular Formula:	C11H10N4O4
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)CN2C=NC(=N2)[N+](=O)[O-]
InChI:	InChI=1S/C11H10N4O4/c1-19-10(16)9-4-2-8(3-5-9)6-14-7-12-11(13-14)15(17)18/h2-5,7H,6H2,1H3
InChI Key:	YFZZBOUDQHUOON-UHFFFAOYSA-N
Boiling Point:	504.9±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Carbonyl Compounds

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Nitrogen Compounds

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1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
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Triazole/Tetrazole

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Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
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Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823421-51-7]
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