2-Iodoanisole - CAS 529-28-2

Name: 2-Iodoanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027990
Product Name:	2-Iodoanisole
CAS:	529-28-2
Synonyms:	1-iodo-2-methoxybenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-iodo-2-methoxybenzene
Description:	2-Iodoanisole (CAS# 529-28-2) is an impurity of Edoxaban (E555520) which is an anticoagulant drug which acts as a direct factor Xa inhibitor. Edoxaban Impurity H serves as a useful pharmaceutical standard.
Molecular Weight:	234.03
Molecular Formula:	C7H7IO
Canonical SMILES:	COC1=CC=CC=C1I
InChI:	InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	DVQWNQBEUKXONL-UHFFFAOYSA-N
Boiling Point:	238-240 °C
Density:	1.799 g/cm³
Appearance:	Yellow liquid
MDL:	MFCD00001039
LogP:	2.29980

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]C8H17Cl
1-Chlorooctane
[13294-71-8]C4H7Br
2-Bromo-2-butene, mixture of cis and trans

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021095878-A1	Method for producing fluoropolyether group-containing compound	20191113
WO-2021078120-A1	Compounds and compositions for the treatment of parasitic diseases	20191021
US-2020392550-A1	Reagents and methods for replication, transcription, and translation in semi-synthetic organisms	20190614
US-2020354373-A1	Hsp90 inhibitors and uses thereof	20190508
WO-2020227368-A1	Hsp90 inhibitors and uses thereof	20190508

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.95416
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.95416
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8