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Home > Encyclopedia > Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate structure

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate 

structure
  • CAS No:

    2166-14-5

  • Formula:

    C6H6N4O4

  • Chemical Name:

    Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

  • Synonyms:

    1,2,4,5-Tetrazine-3,6-dicarboxylic acid,3,6-dimethyl ester;s-Tetrazine-3,6-dicarboxylic acid,dimethyl ester;1,2,4,5-Tetrazine-3,6-dicarboxylic acid,dimethyl ester;Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate;3,6-Bis(methoxycarbonyl)tetrazine;Bis(methoxycarbonyl)-s-tetrazine;3,6-Dicarbomethoxy-1,2,4,5-tetrazine;Dimethyl 3,6-tetrazinedicarboxylate;3,6-Bis(methoxycarbonyl)-1,2,4,5-tetrazine;NSC 174664;3,6-Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate;76954-44-4

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate Basic Attributes

198.13600

198.14

174664

DTXSID80306219

2933990090

Characteristics

104.16000

-1

1.434g/cm3

176 °C @ Solvent: Acetic acid

358.9ºC at 760mmHg

170.9ºC

1.522

Safety Information

NONH for all modes of transport

P261-P305 + P351 + P338

H315-H319-H335

|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:198.14
XLogP3:-1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:198.03890469
Monoisotopic Mass:198.03890469
Topological Polar Surface Area:104
Heavy Atom Count:14
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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