Methyl 4-Iodo-3-methylbenzoate - CAS 5471-81-8

Name: Methyl 4-Iodo-3-methylbenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028800
Product Name:	Methyl 4-Iodo-3-methylbenzoate
CAS:	5471-81-8
Synonyms:	4-iodo-3-methylbenzoic acid methyl ester; methyl 4-iodo-3-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-iodo-3-methylbenzoate
Description:	Methyl 4-Iodo-3-methylbenzoate (CAS# 5471-81-8 ) is a useful research chemical.
Molecular Weight:	276.07
Molecular Formula:	C9H9IO2
Canonical SMILES:	CC1=C(C=CC(=C1)C(=O)OC)I
InChI:	InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChI Key:	HCSGWQGKCVQIRM-UHFFFAOYSA-N
Boiling Point:	299 °C at 760 mmHg
Density:	1.666 g/cm³
MDL:	MFCD02683863
LogP:	2.38620

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113185404-A	1, 2-biaxial chiral biaryl compound and preparation method and application thereof	20210430
CN-113372184-A	Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy	20210326
CN-111943912-A	Preparation method of 2-aminocinnamoyl alcohol ester derivative	20200813
CN-111548345-A	Benzimidazole derivative and preparation method and application thereof	20200403
CN-111548345-B	Benzimidazole derivative and preparation method and application thereof	20200403

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8