Methyl 2-iodo-5-methylbenzoate - CAS 103440-52-4

Name: Methyl 2-iodo-5-methylbenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001126
Product Name:	Methyl 2-iodo-5-methylbenzoate
CAS:	103440-52-4
Synonyms:	methyl 2-iodo-5-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-iodo-5-methylbenzoate
Description:	Methyl 2-iodo-5-methylbenzoate (CAS# 103440-52-4) is a useful research chemical.
Molecular Weight:	276.07
Molecular Formula:	C9H9IO2
Canonical SMILES:	CC1=CC(=C(C=C1)I)C(=O)OC
InChI:	InChI=1S/C9H9IO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChI Key:	DHYMLHOXGMUIDZ-UHFFFAOYSA-N
Boiling Point:	280.961 °C at 760 mmHg
Purity:	95 %
Density:	1.666 g/cm³
Appearance:	Clear golden yellow liquid
MDL:	MFCD12198129
LogP:	2.38620

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Halides

[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

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

Publication Number	Title	Priority Date
US-2021024548-A1	Boron-containing pharmacophore	20190725
WO-2020229595-A1	Quinazoline-2,4-dione derivatives as parp inhibitors	20190514
WO-2020198537-A1	Modulators of mas-related g-protein receptor x4 and related products and methods	20190328
US-2021032213-A1	Modulators of mas-related g-protein receptor x4 and related products and methods	20190328
AU-2018326734-A1	Substituted 2-azabicyclo(3.1.1)heptane and 2-azabicyclo(3.2.1)octane derivatives as orexin receptor antagonists	20170901

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.96473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.96473
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1