1,5-Diiodopentane - CAS 628-77-3

Catalog:	BB031862
Product Name:	1,5-Diiodopentane
CAS:	628-77-3
Synonyms:	1,5-diiodopentane

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Computed Properties

IUPAC Name:	1,5-diiodopentane
Description:	1,5-Diiodopentane (CAS# 628-77-3) is a useful building block for organic synthesis. 1,5-Diiodopentane is used as a crosslinking reagent.
Molecular Weight:	323.94
Molecular Formula:	C5H10I2
Canonical SMILES:	C(CCI)CCI
InChI:	InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2
InChI Key:	IAEOYUUPFYJXHN-UHFFFAOYSA-N
Boiling Point:	101-102 ℃ (3 mmHg)
Melting Point:	9 ℃
Purity:	95 %
Density:	2.177 g/cm³
Appearance:	Clear light yellow to orange liquid
Storage:	Store in a cool, dry place. Keep container closed when not in use.
LogP:	3.02670

Publication Number	Title	Priority Date
EP-2933282-A1	Reaction products of heterocyclic nitrogen compounds, polyepoxides and polyhalogens	20140416
WO-2015126743-A1	Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication	20140218
WO-2015110999-A1	Ezh2 inhibitors and uses thereof	20140124
WO-2015103507-A1	Cyclohexyl sulfone rorÏ' modulators	20140106
WO-2015102929-A1	Tricyclic sulfonamide derivatives	20131230

PMID	Publication Date	Title	Journal
20369813	20100429	Cross-linked bioreducible layer-by-layer films for increased cell adhesion and transgene expression	The journal of physical chemistry. B

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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:	25.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.88720
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	323.88720
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1