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1,2,4-Benzotriazin-3-amine, 1-oxide

1,2,4-Benzotriazin-3-amine, 1-oxide structure

CAS No:
5424-06-6
Formula:
C7H6N4O
Chemical Name:
1,2,4-Benzotriazin-3-amine, 1-oxide
Synonyms:
1,2,4-Benzotriazin-3-amine,1-oxide;1,2,4-Benzotriazine,3-amino-,1-oxide;3-Amino-1,2,4-benzotriazine 1-oxide;SR 4317;Win 64012;4-Desoxytirapazamine;1-Oxido-1,2,4-benzotriazin-1-ium-3-amine;3-Amino-1,2,4-benzotriazin-1-ium-1-olate

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Description

Yellow Solid

1,2,4-Benzotriazin-3-amine, 1-oxide Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

EC Number：

226-559-2

NSC Number：

13158

DSSTox ID：

DTXSID30202590

HScode：

2933699090

Characteristics

PSA：

77.3

XLogP3：

1.22170

Density：

1.6g/cm3

Melting Point：

118-120 °C @ Solvent: Cyclohexane

Boiling Point：

389.3ºC at 760 mmHg

Flash Point：

189.2ºC

Refractive Index：

1.769

Storage Conditions：

Refrigerator

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-amino-1,2,4-benzotriazine-1-oxide

1,2,4-Benzotriazin-3-amine, 1-oxide Use and Manufacturing

An intermediate in the synthesis of Tirapazamine, a bioreductive anticancer agent.

Computed Properties

Molecular Weight:162.15
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:162.05416083
Monoisotopic Mass:162.05416083
Topological Polar Surface Area:77.3
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,4-Benzotriazin-3-amine, 1-oxide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,2,4-Benzotriazin-3-amine, 1-oxide

SDS

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