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83554-69-2

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Basic Information
CAS No.: 83554-69-2
Name: 1-Chloro-6,6-dimethyl-2-heptene-4-yne
Article Data: 5
Molecular Structure:
Molecular Structure of 83554-69-2 (1-Chloro-6,6-dimethyl-2-heptene-4-yne)
Formula: C9H13Cl
Molecular Weight: 151.252
Synonyms: 2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (E)-;
Density: 0.946 g/cm3
Melting Point: 163-166 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
Boiling Point: 207.5 °C at 760 mmHg
Flash Point: 74.7 °C
PSA: 0.00000
LogP: 2.83090
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Chemistry

Molecular Structure of 1-Chloro-6,6-dimethyl-2-heptene-4-yne (CAS NO.83554-69-2):

Systematic Name: (2E)-1-Chloro-6,6-dimethylhept-2-en-4-yne 
Molecular Formula: C9H13Cl
Molecular Weight: 156.65 
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2 
Nominal Mass: 156
Average Mass: 156.6525
Monoisotopic Mass: 156.070578 
Index of Refraction: 1.475
Molar Refractivity: 46.62 cm3
Molar Volume: 165.4 cm3
Surface Tension: 30.5 dyne/cm
Density: 0.946 g/cm3
Flash Point: 74.7 °C
Enthalpy of Vaporization: 42.56 kJ/mol
Boiling Point: 207.5 °C at 760 mmHg
Vapour Pressure: 0.324 mmHg at 25 °C
Product Categories: INTERMEDIATESOFTERBINAFINE
SMILES: ClC\C=C\C#CC(C)(C)C
InChI: InChI=1/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+
InChIKey: ZIXABMZBMHDFEZ-GQCTYLIABF

Specification

  1-Chloro-6,6-dimethyl-2-heptene-4-yne (CAS NO.83554-69-2), its Synonyms are 2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (E)- ; 2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (2E)- ; (2E)-1-Chloro-6,6-dimethylhept-2-en-4-yne .