(E,E)-1-Chloro-2,4-hexadiene - CAS 17100-75-3

Catalog:	BB070041
Product Name:	(E,E)-1-Chloro-2,4-hexadiene
CAS:	17100-75-3
Synonyms:	(2E,4E)-1-Chloro-2,4-hexadiene; (E,E)-1-Chloro-2,4-hexadiene, (8CI); (E,E)-1-Chloro-2,4-hexadiene; Sorbyl Chloride

Technical Data

IUPAC Name:	(2E,4E)-1-chlorohexa-2,4-diene
Description:	(E,E)-1-Chloro-2,4-hexadiene is a useful intermediate,. It is used in the synthesis and polymerization of heterobifunctional amphiphiles to crosslink supremolecular assemblies.
Molecular Weight:	116.59
Molecular Formula:	C6H9Cl
Canonical SMILES:	CC=CC=CCCl
InChI:	InChI=1S/C6H9Cl/c1-2-3-4-5-6-7/h2-5H,6H2,1H3/b3-2+,5-4+
InChI Key:	OGAKEJHVQRBQLA-MQQKCMAXSA-N
Solubility:	Chloroform, Hexane
Appearance:	Clear Colorless Oil
Storage:	-20°C, Light sensitive
References:	Liu, S.; et al. Macromolecules, 34, 465 (2001).

Complexity:	72.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	116.039278
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.039278
Rotatable Bond Count:	2
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3