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Methyl 2-(2-nitro-1H-imidazol-1-yl)acetate

Methyl 2-(2-nitro-1H-imidazol-1-yl)acetate structure

CAS No:
22813-31-6
Formula:
C6H7N3O4
Chemical Name:
Methyl 2-(2-nitro-1H-imidazol-1-yl)acetate
Synonyms:
1H-Imidazole-1-acetic acid,2-nitro-,methyl ester;Imidazole-1-acetic acid,2-nitro-,methyl ester;RGW 613;Methyl 2-nitroimidazole-1-acetate;NSC 302986;Methyl 2-(2-nitro-1H-imidazol-1-yl)acetate

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Methyl 2-(2-nitro-1H-imidazol-1-yl)acetate Basic Attributes

Molecular Weight：

185.13700

Exact Mass：

185.14

EC Number：

245-243-5

NSC Number：

302986

DSSTox ID：

DTXSID60177368

HScode：

2933290090

Characteristics

PSA：

89.94000

XLogP3：

0.48750

Density：

1.48g/cm3

Melting Point：

95-97 °C

Boiling Point：

372.4ºC

Flash Point：

179.1ºC

Refractive Index：

1.596

Vapor Pressure：

9.61E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.14
XLogP3:-0.1
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-(2-nitro-1H-imidazol-1-yl)acetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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