3-Iodoanisole - CAS 766-85-8

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

Catalog:	BB035672
Product Name:	3-Iodoanisole
CAS:	766-85-8
Synonyms:	1-iodo-3-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-iodo-3-methoxybenzene
Description:	3-Iodoanisole (CAS# 766-85-8) is a compound useful in organic synthesis.
Molecular Weight:	234.03
Molecular Formula:	C7H7IO
Canonical SMILES:	COC1=CC(=CC=C1)I
InChI:	InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:	RSHBAGGASAJQCH-UHFFFAOYSA-N
Boiling Point:	244-245 °C
Density:	1.965 g/cm³
Appearance:	Light yellow liquid.
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
MDL:	MFCD00001048
LogP:	2.29980

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Related Functional Groups

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]C8H17Cl
1-Chlorooctane
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[2114-39-8]C9H11Br
2-Bromo-1-phenylpropane

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[77987-49-6]C10H13NO3
Z-Glycinol
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9