Methyl 2-amino-5-chloro-3-iodobenzoate - CAS 289039-84-5

Name: Methyl 2-amino-5-chloro-3-iodobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020007
Product Name:	Methyl 2-amino-5-chloro-3-iodobenzoate
CAS:	289039-84-5
Synonyms:	methyl 2-amino-5-chloro-3-iodobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-chloro-3-iodobenzoate
Description:	Methyl 2-amino-5-chloro-3-iodobenzoate (CAS# 289039-84-5) is a useful research chemical.
Molecular Weight:	311.50
Molecular Formula:	C8H7ClINO2
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1N)I)Cl
InChI:	InChI=1S/C8H7ClINO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
InChI Key:	VTDNWMZYPVQPCN-UHFFFAOYSA-N
Boiling Point:	360.6 °C at 760 mmHg
Melting Point:	66-70 °C (lit.)
Purity:	95 %
Density:	1.903 g/cm³
Appearance:	Brown powder
MDL:	MFCD00673017
LogP:	2.89460

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H300 (90.48%): Fatal 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
AU-2010273732-A1	5-HT3 receptor modulators, methods of making, and use thereof	20090714
CA-2767233-A1	5-ht3 receptor modulators, methods of making, and use thereof	20090714
EP-2459563-A2	5-ht3 receptor modulators, methods of making, and use thereof	20090714
JP-2012533544-A	5-HT3 receptor modulators, methods for their preparation, and uses thereof	20090714
JP-5663572-B2	5-HT3 receptor modulators, methods for their preparation, and uses thereof	20090714

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.92100
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	310.92100
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9