1-Chloro-3-iodopropane - CAS 6940-76-7

Name: 1-Chloro-3-iodopropane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-chloro-3-iodopropane
Description:	1-Chloro-3-iodopropane (CAS# 6940-76-7) is used as reagent in the synthesis of several organic compounds including that of (-)-Terengganensine A which is a complex heptacyclic monoterpene indole alkaloid. Also used in the synthesis of A-366 which is a potent inhibitor of histone methyltransferase G9a.
Molecular Weight:	204.44
Molecular Formula:	C3H6ClI
Canonical SMILES:	C(CCl)CI
InChI:	InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2
InChI Key:	SFOYQZYQTQDRIY-UHFFFAOYSA-N
Boiling Point:	170-172 °C (lit.)
Purity:	95 %
Density:	1.904 g/mL at 25°C(lit.)
Appearance:	Color clear light orange liquid
MDL:	MFCD00001096
LogP:	2.05030
Vapor Pressure:	2.0 [mmHg]

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

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PMID	Publication Date	Title	Journal
22907720	20121001	Total synthesis of (-)-kopsinine by an asymmetric one-pot [n+2+3] cyclization	Chemistry, an Asian journal
22251442	20120401	Have regulatory efforts to reduce organophosphorus insecticide exposures been effective?	Environmental health perspectives
21909292	20110801	Urinary concentrations of dialkylphosphate metabolites of organophosphorus pesticides: National Health and Nutrition Examination Survey 1999-2004	International journal of environmental research and public health
21117709	20110107	Asymmetric synthesis of chiral N-sulfinyl 3-alkyl- and 3-arylpiperidines by α-alkylation of N-sulfinyl imidates with 1-chloro-3-iodopropane	The Journal of organic chemistry
18088442	20071219	Synthesis of crispine A analogues via an intramolecular Schmidt reaction	Beilstein journal of organic chemistry

Complexity:	16.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.92028
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.92028
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3