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4-Bromoindole-2-carboxylic acid methyl ester

4-Bromoindole-2-carboxylic acid methyl ester structure

CAS No:
167479-13-2
Formula:
C10H8BrNO2
Chemical Name:
4-Bromoindole-2-carboxylic acid methyl ester
Synonyms:
4-Bromoindole-2-carboxylic acid methyl ester;1H-Indole-2-carboxylic acid, 4-broMo-, Methyl ester;4-bromo-1H-indole-2-carboxylic acid methyl ester;Methyl 4-bromoindole-2-carboxylate

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4-Bromoindole-2-carboxylic acid methyl ester Basic Attributes

Molecular Weight：

254.09

Exact Mass：

252.973831

DSSTox ID：

DTXSID60405799

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

3.1

Density：

1.629±0.06 g/cm3(Predicted)

Boiling Point：

386.2±22.0 °C(Predicted)

Flash Point：

187.3±22.3 °C

Refractive Index：

1.666

Safety Information

Hazard category：

IRRITANT

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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromoindole-2-carboxylic acid methyl ester Use and Manufacturing

General procedure: Methyl 3-aryl-2-azidoacrylate 1-11 (20.0 mmol) was added in one portion to a xylene refluxing solution (75 mL) which was heated for 2 h. After evaporation of the solvent, the residue was purified by column chromatography on silica gel using a petroleum ether/EtOAc mixture as eluent. Compounds 12, 18 and 19 were previously described [9b], [13] and [14].

Computed Properties

Molecular Weight:254.08
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Monoisotopic Mass:252.97384
Topological Polar Surface Area:42.1
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromoindole-2-carboxylic acid methyl ester

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

4-Bromoindole-2-carboxylic acid methyl ester

SDS

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