trans-1-Iodo-1-hexene - CAS 16644-98-7

Catalog:	BB012282
Product Name:	trans-1-Iodo-1-hexene
CAS:	16644-98-7
Synonyms:	(E)-1-iodohex-1-ene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(E)-1-iodohex-1-ene
Description:	Palladium-catalyzed carboalkoxylation gives appreciable stereospecific vinylic halides, including trans-1-Iodohexene. Also, trans-1-Iodohexene cross coupled with (E)- or (Z)-vinylstannanes gives good yields of stereoisomerically pure unsymmetrical dienes with the same double bond geometry.
Molecular Weight:	210.06
Molecular Formula:	C6H11I
Canonical SMILES:	CCCCC=CI
InChI:	InChI=1S/C6H11I/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+
InChI Key:	TUAPXMNNQGXDDV-AATRIKPKSA-N
MDL:	MFCD00798209
LogP:	3.12530

Publication Number	Title	Priority Date
WO-2021046612-A1	Detection of halocarbons	20190913
JP-2019203030-A	Pest control method using alkyne compound	20190906
EP-3814313-A1	Metal-iodide catalytic system for direct etherification from aldehydes and/or ketones	20180626
WO-2019189287-A1	Alkyne compound and arthropod pest control composition containing same	20180329
CN-111902392-A	Alkyne compound and harmful arthropod control composition containing same	20180329

PMID	Publication Date	Title	Journal
11281770	20010406	A Study of factors affecting alpha-(N-carbamoyl)alkylcuprate chemistry	The Journal of organic chemistry

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Related Functional Groups

Alkenes

[762-62-9]
4,4-Dimethyl-1-pentene
[99828-63-4]
12-Bromododecene
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[5356-85-4]
Methylbis(trimethylsilyloxy)vinylsilane

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	209.99055
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.99055
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5