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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-
67-47-0 structure

2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-

Iupac Name:5-(hydroxymethyl)furan-2-carbaldehyde
CAS No.:67-47-0
Molecular Weight:126.11000
Molecular Formula:C13H15NO3 (isomer)
Properties
Density
1.161
Melting Point
28-34°C(lit.)
Refractive Index
n20/D 1.562(lit.)
HS Code
2932190090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S36-S24/25
Safety
Poison by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PackingGroup
III
Specification

Safety Statements:22-36
22:Do not breathe dust
36:Wear suitable protective clothing
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:126.11000g/mol
  • Molecular Formula:C13H15NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.6
  • Exact Mass:126.032
  • Monoisotopic Mass:126.032
  • Complexity:103
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.4A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAACAAACASgkAIwBIAABkCI AKhSgAICCAAkIAAIiAFGCMgNNjKENR6CWSCkwBELuYeIbgRgAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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