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1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole

1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole structure

CAS No:
13551-86-5
Formula:
C6H8ClN3O3
Chemical Name:
1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole
Synonyms:
1H-Imidazole-1-ethanol,α-(chloromethyl)-2-nitro-;Imidazole-1-ethanol,α-(chloromethyl)-2-nitro-;α-(Chloromethyl)-2-nitro-1H-imidazole-1-ethanol;1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole;Ro 07-0269;1-Chloro-3-(2-nitroimidazol-1-yl)propan-2-ol

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1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole Basic Attributes

Molecular Weight：

205.598

Exact Mass：

205.60

Characteristics

PSA：

83.9

XLogP3：

-0.3

Melting Point：

156-158 °C

Toxicity：

Oral-Mouse LD50: 330 mg/kg; Abdominal cavity-mouse LD50: 158 mg/kg

Flammability characteristics：

Combustible, decomposes toxic chloride, nitrogen oxide gas when burning

Safety Information

Storage features：

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:205.60
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:205.0254188
Monoisotopic Mass:205.0254188
Topological Polar Surface Area:83.9
Heavy Atom Count:13
Complexity:187
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole

SDS

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