Methyl 5-bromo-2-iodobenzoate - CAS 181765-86-6

Name: Methyl 5-bromo-2-iodobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013832
Product Name:	Methyl 5-bromo-2-iodobenzoate
CAS:	181765-86-6
Synonyms:	methyl 5-bromo-2-iodobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-iodobenzoate
Description:	Methyl 5-bromo-2-iodobenzoate (CAS# 181765-86-6) is a useful research chemical.
Molecular Weight:	340.94
Molecular Formula:	C8H6BrIO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)Br)I
InChI:	InChI=1S/C8H6BrIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key:	CJRHLSZJEFJDLA-UHFFFAOYSA-N
Boiling Point:	307.1 °C at 760 mmHg
Melting Point:	45-49 °C (lit.)
Purity:	97 %
Density:	2.059 g/cm³
MDL:	MFCD00144771
LogP:	2.84030

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CZ-34625-U1	Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas	20201026
CN-112194612-A	Synthesis method of photoelectric material intermediate N- (7-bromo-9, 9-dimethylfluorene-2-yl) carbazole	20201015
KR-20210115282-A	Novel phenanthroline compound and an organic light emitting diode including the same	20200312
WO-2021182899-A1	Novel phenanthroline-based compound and organic light-emitting device comprising same	20200312
WO-2021174167-A1	Compounds and methods for modulating splicing	20200228

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	339.85959
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	339.85959
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4