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methyl 2-(4-nitroimidazol-1-yl)acetate

methyl 2-(4-nitroimidazol-1-yl)acetate structure

CAS No:
13230-21-2
Formula:
C6H7N3O4
Chemical Name:
methyl 2-(4-nitroimidazol-1-yl)acetate
Synonyms:
(4-Nitro-imidazol-1-yl)-acetic acid methyl ester; methyl 2-(4-nitro-1H-imidazol-1-yl)acetate; methyl 2-(4-nitro-1H-1-imidazolyl)acetate; Methyl (4-nitro-1-imidazolyl)acetate;

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methyl 2-(4-nitroimidazol-1-yl)acetate Basic Attributes

Molecular Weight：

185.13700

Exact Mass：

185.04365571

DSSTox ID：

DTXSID70389253

HScode：

2933290090

Characteristics

PSA：

89.94000

XLogP3：

0.48750

Density：

1.48g/cm3

Melting Point：

143-147ºC

Boiling Point：

387.8ºC

Flash Point：

188.3ºC

Refractive Index：

1.596

Vapor Pressure：

3.22E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.14
XLogP3:-0.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:185.04365571
Monoisotopic Mass:185.04365571
Topological Polar Surface Area:89.9
Heavy Atom Count:13
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 2-(4-nitroimidazol-1-yl)acetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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