1-Iodooctadecane - CAS 629-93-6

Catalog:	BB031923
Product Name:	1-Iodooctadecane
CAS:	629-93-6
Synonyms:	1-iodooctadecane

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-iodooctadecane
Description:	1-Iodooctadecane (CAS# 629-93-6) is a useful research chemical.
Molecular Weight:	380.39
Molecular Formula:	C18H37I
Canonical SMILES:	CCCCCCCCCCCCCCCCCCI
InChI:	InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChI Key:	ZNJOCVLVYVOUGB-UHFFFAOYSA-N
Boiling Point:	194 °C (2 torr)
Melting Point:	33-35 °C
Density:	1.104 g/cm³
Appearance:	Pale yellow crystalline
LogP:	7.68290

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-112480367-A	Preparation method and application of bio-based polyisocyanate curing agent	20201126
CN-112495141-A	Method and system for collecting tobacco fragrance in flue-cured tobacco leaf tail gas	20201110
CN-112279832-A	Triphenylamine group-based organic near-infrared fluorescent probe and preparation method and application thereof	20201022

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

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	380.19400
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	380.19400
Rotatable Bond Count:	16
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10.7