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3161-99-7

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Basic Information
CAS No.: 3161-99-7
Name: hexa-1,3,5-triyne
Article Data: 15
Molecular Structure:
Molecular Structure of 3161-99-7 (hexa-1,3,5-triyne)
Formula: C6H2
Molecular Weight: 74.0819
Synonyms: Hexatriyne(6CI,7CI,8CI); Triacetylene
Density: 0.944g/cm3
Boiling Point: 93°Cat760mmHg
Flash Point: °C
Safety: Polymerizes rapidly in air at room temperature to form a friction-sensitive explosive solid which is probably a peroxide. When heated to decomposition it emits acrid smoke and fumes. See also ACETYLENE COMPOUNDS and ALKYNES and PEROXIDES, INORGANIC; PEROXIDES, ORGANIC.
PSA: 0.00000
LogP: 0.25620
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Chemistry

Product Name: 1,3,5-Hexatriyne 
CAS Registry Number: 3161-99-7 
Systematic Name: 1,3,5-Hexatriyne
IUPAC Name: hexa-1,3,5-triyne
Molecular Formula: C6H2
Molecular Weight: 74.0801
XLogP3-AA: 1.2
Surface Tension: 48.5 dyne/cm
Density: 0.944 g/cm3
Flash Point: °C
Enthalpy of Vaporization: 31.9 kJ/mol
Boiling Point: 93 °C at 760 mmHg
Vapour Pressure: 57.2 mmHg at 25°C
Following is the molecular structure of 1,3,5-Hexatriyne (CAS NO.3161-99-7) is:

Safety Profile

Polymerizes rapidly in air at room temperature to form a friction-sensitive explosive solid which is probably a peroxide. When heated to decomposition it emits acrid smoke and fumes. See also ACETYLENE COMPOUNDS and ALKYNES and PEROXIDES, INORGANIC; PEROXIDES, ORGANIC.

Specification

Descriptors computed from structure, you can know some information about 1,3,5-Hexatriyne (CAS NO.3161-99-7) :
Canonical SMILES: C#CC#CC#C
InChI: InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H
InChIKey: MZHROOGPARRVHS-UHFFFAOYSA-N
Exact Mass: 74.01565
MonoIsotopic Mass: 74.01565