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2,4-Dinitroimidazole

2,4-Dinitroimidazole structure

CAS No:
5213-49-0
Formula:
C3H2N4O4
Chemical Name:
2,4-Dinitroimidazole
Synonyms:
1H-Imidazole,2,5-dinitro-;Imidazole,2,4-dinitro-;1H-Imidazole,2,4-dinitro-;Imidazole,2,4(or 2,5)-dinitro-;2,5-Dinitro-1H-imidazole;2,4-Dinitroimidazole;KA 121;2,5-Dinitroimidazole;2,4(5)-Dinitroimidazole;NSC 342704;2,4-Dinitro-1H-imidazole;2,4-Dinitro-3H-imidazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow solid

2,4-Dinitroimidazole Basic Attributes

Molecular Weight：

158.07

Exact Mass：

158.07

NSC Number：

342704

DSSTox ID：

DTXSID70200136

Characteristics

PSA：

120

XLogP3：

0.4

Density：

1.6385 g/cm³

Melting Point：

271-271.5 °C

Boiling Point：

503.1ºC at 760 mmHg

Flash Point：

258.1ºC

Refractive Index：

1.676

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:158.07
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:158.00760456
Monoisotopic Mass:158.00760456
Topological Polar Surface Area:120
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,4-Dinitroimidazole

CAS No.: 5213-49-0

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