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Home> Encyclopedia > Hot Product Listed 1   > 1,5-Hexadiyne
628-16-0 structure

1,5-Hexadiyne

Iupac Name:hexa-1,5-diyne
CAS No.:628-16-0
EINECS(EC#): 211-029-5
Molecular Weight:78.114
Molecular Formula:C6H6 (isomer)
Properties
Density
0,805
Boiling Point
86.2°C at 760 mmHg
Refractive Index
1.448
Flash Point
-7°C
HS Code
2901299090
Safety and Handling
Risk Statements
12
Safety Statements
Explodes when heated to 100°C. Upon decomposition it emits acrid smoke and fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
HazardClass
3
Safety

Explodes when heated to 100°C. Upon decomposition it emits acrid smoke and fumes. See also ACETYLENE COMPOUNDS and ALKYNES.Safety information of 1,5-Hexadiyne (CAS NO.628-16-0):
Risk Statements 
12 Extremely Flammable
Safety Statements 
9 Keep container in a well-ventilated place
16 Keep away from sources of ignition - No smoking
29 Do not empty into drains
33 Take precautionary measures against static discharges
RIDADR  3295
HazardClass  3
PackingGroup  II

PackingGroup
II
Transport
3295
Specification

Safety Statements:9-16-29-33
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
29:Do not empty into drains
33:Take precautionary measures against static discharges
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

H336 May cause drowsiness or dizziness

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:78.114g/mol
  • Molecular Formula:C6H6
  • Compound Is Canonicalized:True
  • Exact Mass:78.047
  • Monoisotopic Mass:78.047
  • Complexity:86.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:6
  • 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: AAADcYBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAABA GAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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