Nitrovin | CAS No. 804-36-4

Nitrovin

Basic Information

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CAS Number

804-36-4

Molecular Formula

C14H12N6O6

Molecular Weight

360.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

217° (dec)

Boiling Point

492.33°C (rough estimate)

Density

1.3634 (rough estimate)

Flash Point

302.1°C

Refractive Index

1.6800 (estimate)

SMILES

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C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+

InChIKey

XQCFHQBGMWUEMY-ZPUQHVIOSA-N

LogP

4.49200

Complexity

601

Synonyms & References

English

{(3E)-2-[(1E)-2-(5-Nitro(2-furyl))vinyl]-1-aza-4-(5-nitro(2-furyl))buta-1,3-dienyl}aminocarboxamidine
Nitrovin (TN)
Q6043358
NS00038074
AKOS016013944
Biovin 4
Tox21_112791_1
CHEBI:82516
DTXSID8046903
804-36-4
A839910
N-{[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino}guanidine
1-[[(E)-3-(5-nitro-2-furyl)-1-[(E)-2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine
SCHEMBL17975315
C19487
2-(1,5-Bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene)hydrazinecarboximidamide
SCHEMBL440144
NITROVIN
2-[[(E)-3-(5-nitro-2-furyl)-1-[(E)-2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine;2-(1,5-Bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene)hydrazinecarboximidamide
DTXCID6026903
Nitrovin (BAN)
W-104235
NCGC00181330-01
CHEMBL1395447
1,5-bis(5-Nitro-2-furyl)-3-pentadienoneamidinonhydrazone
CAS-804-36-4
NS00126692
NCGC00181330-02
Tox21_112791
AS-56265
Difurazone

MDL Number

MFCD00242892

Customs Code

2309901000

FAQ

What regulatory guidelines apply to Nitrovin (CAS: 804-36-4)?

Nitrovin (CAS: 804-36-4) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), specifically as an explosive and a flammable liquid. In the European Union, it is regulated under REACH, and must comply with FDA and EPA requirements for labeling and storage. Safety data sheets (SDS) are required for handling and transportation.

Are there alternatives to Nitrovin (CAS: 804-36-4) in synthesis?

While Nitrovin is a versatile reagent in organic synthesis, there are alternatives such as nitromethane and nitroethane, which can be used in similar reactions. These alternatives are often chosen based on reactivity, availability, and environmental considerations. It's essential to evaluate the specific requirements and choose the most suitable alternative.

What is the market or research trend for Nitrovin (CAS: 804-36-4)?

Nitrovin (CAS: 804-36-4) continues to be a key reagent in the development of new materials and pharmaceuticals. Recent research trends show an increasing focus on its use in the synthesis of functional polymers and pharmaceutical intermediates. Market trends indicate steady demand, with ongoing exploration of its applications in sustainable chemistry and green chemistry initiatives.

How should waste containing Nitrovin (CAS: 804-36-4) be handled?

Waste containing Nitrovin (CAS: 804-36-4) should be collected in appropriate containers and properly labeled as hazardous. It should be disposed of through a professional waste disposal service due to its explosive and flammable nature. Environmental protection measures include ensuring no release into waterways and minimizing exposure to air to prevent fires or explosions. Safe storage and transportation are also critical to prevent accidents.