1,6-Diiodohexane - CAS 629-09-4

Catalog:	BB031877
Product Name:	1,6-Diiodohexane
CAS:	629-09-4
Synonyms:	1,6-diiodohexane

Technical Data

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Computed Properties

IUPAC Name:	1,6-diiodohexane
Description:	1,6-Diiodohexane has been shown to have mutagenic activity in Salmonella typhimurium strains TA1530, TA1535 and TA100.
Molecular Weight:	337.97
Molecular Formula:	C6H12I2
Canonical SMILES:	C(CCCI)CCI
InChI:	InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
InChI Key:	QLIMAARBRDAYGQ-UHFFFAOYSA-N
Boiling Point:	141-142 °C (10 mmHg)
Density:	2.052 g/cm³
Appearance:	Clear light yellow liquid
LogP:	3.41680

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PMID	Publication Date	Title	Journal
21256990	20110501	Tissue plasminogen activator-containing polyurethane surfaces for fibrinolytic activity	Acta biomaterialia

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GHS Hazard Statement:	H315 (97.78%): 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:	31.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	337.90285
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	337.90285
Rotatable Bond Count:	5
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6