Methyl 4-iodobenzoate - CAS 619-44-3

Catalog:	BB031345
Product Name:	Methyl 4-iodobenzoate
CAS:	619-44-3
Synonyms:	methyl 4-iodobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-iodobenzoate
Description:	Methyl 4-iodobenzoate (CAS# 619-44-3) is a useful research chemical compound.
Molecular Weight:	262.04
Molecular Formula:	C8H7IO2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)I
InChI:	InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:	DYUWQWMXZHDZOR-UHFFFAOYSA-N
Boiling Point:	276.1 °C at 760 mmHg
Melting Point:	112-116 °C
Purity:	98 %
Density:	1.753 g/cm³
Appearance:	Beige to pale pink crystalline powder
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00016353
LogP:	2.07780

Publication Number	Title	Priority Date
CN-113214149-A	Synthesis method of phenyl (quinoline-8-yl) ketone derivative	20210303
CN-112409224-A	Synthetic method of sulfonamide compound	20201120
CN-112321619-A	8- (diphenylethynyl) -ester group-containing boron-fluorine pyrrole compound and synthesis and application thereof	20200930
CN-111821861-A	Method for preparing high-flux organic solvent nanofiltration membrane by star-shaped molecular compound	20200821
CN-111807977-A	9-aniline fluorene-9-carboxylic ester compound and preparation method thereof	20200813

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GHS Hazard Statement:	H315 (91.67%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.94908
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.94908
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3