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1-(4-Nitrobenzyloxycarbonyl)benzotriazole

1-(4-Nitrobenzyloxycarbonyl)benzotriazole structure

CAS No:
86832-06-6
Formula:
C14H10N4O4
Chemical Name:
1-(4-Nitrobenzyloxycarbonyl)benzotriazole
Synonyms:
1-(4-Nitrobenzyloxycarbonyl)benzotriazole;4-Nitrobenzyl 1H-benzo[d][1,2,3]triazole-1-carboxylate;Nitrobenzyloxycarbonyl)benzotriazole;1-{[(p-nitrobenzyl)oxy]carbonyl}-1H-benzotriazole;1H-Benzotriazole-1-carboxylic acid, (4-nitrophenyl)methyl ester

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1-(4-Nitrobenzyloxycarbonyl)benzotriazole Basic Attributes

Molecular Weight：

298.25

Exact Mass：

298.07

EC Number：

807-104-2

Characteristics

PSA：

102.83000

XLogP3：

3.04760

Density：

1.47±0.1 g/cm3

Melting Point：

160-162 °C(Solv: ethyl ether (60-29-7))

Boiling Point：

518.4±52.0 °C(Predicted)

PKA：

-0.68±0.30

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:298.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:298.07020481
Monoisotopic Mass:298.07020481
Topological Polar Surface Area:103
Heavy Atom Count:22
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-Nitrobenzyloxycarbonyl)benzotriazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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