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1-(4-Nitrobenzyl)-1H-1,2,4-triazole

1-(4-Nitrobenzyl)-1H-1,2,4-triazole structure

CAS No:
119192-09-5
Formula:
C9H8N4O2
Chemical Name:
1-(4-Nitrobenzyl)-1H-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,1-[(4-nitrophenyl)methyl]-;1-[(4-Nitrophenyl)methyl]-1H-1,2,4-triazole;4-(1,2,4-Triazol-1-ylmethyl)nitrobenzene;1-(4-Nitrobenzyl)-1H-1,2,4-triazole;1-(4-Nitrobenzyl)-1,2,4-triazole;1-(4-Nitrophenyl)methyl-1,2,4-triazole;1-[(4-Nitrophenyl)methyl]-1,2,4-triazole

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1-(4-Nitrobenzyl)-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

204.19

Exact Mass：

204.19

DSSTox ID：

DTXSID60424309

HScode：

2933990090

Characteristics

PSA：

76.53000

XLogP3：

1.75780

Density：

1.39±0.1 g/cm3

Melting Point：

100-101 °C

Boiling Point：

433.4±47.0 °C(Predicted)

Flash Point：

215.9ºC

Refractive Index：

1.671

Vapor Pressure：

1.03E-07mmHg at 25°C

PKA：

2.46±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:204.19
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:204.06472551
Monoisotopic Mass:204.06472551
Topological Polar Surface Area:76.5
Heavy Atom Count:15
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: anagen; chromate charge; sodium hydrochloride; dichloromethane density; methylacetat; pentanal

Guide of 1-(4-Nitrobenzyl)-1H-1,2,4-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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