1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide | CAS No. 448245-52-1

1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide

Basic Information

CAS Number

448245-52-1

Molecular Formula

C10H15N5

Molecular Weight

55.06 g/mol

AD

Basic Physical Properties

Melting Point

-6°C

Refractive Index

1.5080 to 1.5120

CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N

InChI

InChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1

InChIKey

ICIVTHOGIQHZRY-UHFFFAOYSA-N

LogP

0.35950000000000004

Topological Polar Surface Area

34.66 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

179

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

  • AKOS005145836
  • 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
  • NCGC00248748-01
  • AC7816
  • DTXCID2027886
  • 1-Butyl-3-Methylimidazolium Dicyamide
  • 1-Butyl-3-methyl-3-imidazolium Di(cyano)amide
  • MFCD07784457
  • 1-butyl-3-methyl-1H-imidazol-3-ium; dicyanoazanide
  • CS-0186325
  • SCHEMBL1956577
  • Q-102661
  • DTXSID9047910
  • B5447
  • 1-Butyl-3-methylimidazoliumdicyanamide
  • FT-0765103
  • AS-63157
  • 1-BUTYL-3-METHYLIMIDAZOLIUM DICYANAMIDE [BMIm]N(CN)2
  • [bmim][dca]
  • Tox21_200587
  • NCGC00258141-01
  • 448245-52-1
  • 1-Butyl-3-methylimidazolium dicyanamide
  • CAS-448245-52-1
  • A912496
  • CHEMBL3182985
  • SY039367
  • 1-n-Butyl-3-methylimidazolium dicyanamide
  • 1-butyl-3-methylimidazol-3-ium,cyanoiminomethylideneazanide
  • 3-butyl-1-methyl-1H-Imidazolium cyanocyanamide
  • DSSTox_CID_27886

MDL Number

MFCD07784457

FAQ

What is 1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide (CAS: 448245-52-1)?

1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide is an organic compound with the CAS number 448245-52-1. It is a quaternary ammonium salt with imidazolium and azanide functionalities. This compound has a molecular structure characterized by a central imidazolium ring with substituents of butyl and methyl groups, and it contains a cyanoimino functional group.

What are the main uses of 1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide (CAS: 448245-52-1)?

1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide is primarily used in the pharmaceutical industry as a precursor in the synthesis of other compounds. It is also utilized in the chemical industry for its reactivity and as a catalyst in certain reactions. In research settings, it serves as a versatile building block for the development of new materials and drugs.

Is 1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide (CAS: 448245-52-1) safe?

1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide is generally considered safe for laboratory handling under proper conditions. However, precautions should be taken to avoid skin contact and inhalation of the compound. Protective gloves and goggles are recommended. Spills should be handled with care, and the compound should be disposed of according to local regulations.

How should 1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide (CAS: 448245-52-1) be stored?

1-Butyl-3-methyl-1H-imidazol-3-ium [(cyanoimino)methylene]azanide should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. The storage temperature should be maintained between 10-25°C (50-77°F) to ensure stability. Avoid storing it near incompatible materials such as strong acids or oxidizing agents.

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