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Benzoic acid, 2-amino-5-iodo-, ethyl ester

Benzoic acid, 2-amino-5-iodo-, ethyl ester structure

CAS No:
268568-11-2
Formula:
C9H10INO2
Chemical Name:
Benzoic acid, 2-amino-5-iodo-, ethyl ester
Synonyms:
Benzoic acid,2-amino-5-iodo-,ethyl ester;Ethyl 2-amino-5-iodobenzoate;Ethyl 5-Iodoanthranilate

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Benzoic acid, 2-amino-5-iodo-, ethyl ester Basic Attributes

Molecular Weight：

291.09

Exact Mass：

291.09

EC Number：

1312995-182-4

DSSTox ID：

DTXSID40475798

HScode：

2922499990

Characteristics

PSA：

52.3

XLogP3：

2.8

Appearance：

pale yellow crystalline powder

Density：

1.7±0.1 g/cm3

Melting Point：

69-71°C

Boiling Point：

347.9°C at 760 mmHg

Flash Point：

164.2±25.1 °C

Refractive Index：

1.630

Vapor Pressure：

5.23E-05mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzoic acid, 2-amino-5-iodo-, ethyl ester Use and Manufacturing

General procedure: As a typical experiment, the reaction of 4-(trifluoromethyl)bromobenzene (0.225 g, 1 mmol), methyl 3-amino-4-methylthiophene-2-carboxylate (0.342 g, 2 mmol) and KOAc (0.196 g, 2 mmol) at 120 C during 20 h in DMAc (3 mL) in the presence of PdCl(C3H5)(dppb) (12.2 mg, 0.02 mmol) under argon affords methyl 3-amino-4-methyl-5-(4-trifluoromethylphenyl)-thiophene-2-carboxylate 1a after extraction with dichloromethane, evaporation and filtration on silica gel (pentane/ether) in 82% (0.258 g) yield.

Computed Properties

Molecular Weight:291.09
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:290.97563
Monoisotopic Mass:290.97563
Topological Polar Surface Area:52.3
Heavy Atom Count:13
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 2-amino-5-iodo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Benzoic acid, 2-amino-5-iodo-, ethyl ester

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