1-Iodohexadecane - CAS 544-77-4

Catalog:	BB028692
Product Name:	1-Iodohexadecane
CAS:	544-77-4
Synonyms:	1-iodohexadecane

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Computed Properties

IUPAC Name:	1-iodohexadecane
Description:	1-Iodohexadecane (CAS# 544-77-4) is a reagent used to synthesize various polymers and hydrocarbons.
Molecular Weight:	352.34
Molecular Formula:	C16H33I
Canonical SMILES:	CCCCCCCCCCCCCCCCI
InChI:	InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChI Key:	KMWHQYDMBYABKL-UHFFFAOYSA-N
Boiling Point:	206-207 ℃ / 10 mmHg (lit.)
Density:	1.121 g/cm³
Appearance:	Colorless or pale yellow liquid or melt
MDL:	MFCD00001089
LogP:	6.90270

Publication Number	Title	Priority Date
JP-2021063228-A	Composition containing etherified cellulose fibers and water	20201224
CN-112661684-A	Method for synthesizing long-chain alkyl coenzyme M	20201218
CN-112028901-A	Cetyl ammonium group modified phthalocyanine, preparation method thereof and application thereof as photodynamic medicament	20201016
CN-112028901-B	Cetyl ammonium group modified phthalocyanine, preparation method thereof and application thereof as photodynamic medicament	20201016
CN-111518231-A	Cationic polymer antiviral material and preparation method and application thereof	20200518

PMID	Publication Date	Title	Journal
17850754	20070901	Bombyx mori pheromone-binding protein binding nonpheromone ligands: implications for pheromone recognition	Structure (London, England : 1993)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	352.16270
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	352.16270
Rotatable Bond Count:	14
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9.6