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2-Bromoindene

2-Bromoindene structure

CAS No:
10485-09-3
Formula:
C9H7Br
Chemical Name:
2-Bromoindene
Synonyms:
2-BROMOINDENE;1H-INDENE, 2-BROMO-;2-Bromoindene,99%;2-bromo-1H-indene;2-BroMoindene, 95+%
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

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Description

Yellow to pale brown low melting solid

2-Bromoindene Basic Attributes

Molecular Weight：

195.06

Exact Mass：

193.973099

EC Number：

1312995-182-4

DSSTox ID：

DTXSID90146784

HScode：

29036990

Characteristics

PSA：

XLogP3：

3.1

Appearance：

White crystal

Density：

1.570±0.06 g/cm3(Predicted)

Melting Point：

35-37°C

Boiling Point：

127 °C / 23mmHg

Flash Point：

113.0±15.9 °C

Refractive Index：

1.660

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator (+4°C)

Vapor Pressure：

0.0241mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

37/39-26

Marks：

Hazard note：

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|H315 (85.71%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromoindene Use and Manufacturing

General procedure: In a 25 mL round bottomed flask, 250 mg (1.2 mmol) of 2-bromo-1-phenylethanol (1a), 50 mg (20 W/W percent) H-β-Zeolite and 1.0 mL of chlorobenzene were placed. The reaction flask was placed in an oil bath at 120°C for 6 h; the progress of the reaction was monitored by TLC. After completion of the reaction, the flask was allowed to attain room temperature, and filtered through Watt-Mann filter paper and washed with 10 mL of diethyl ether. Removal of the solvent under reduced pressure, the left out residue was purified by column chromatography on silica gel (200-400 mesh) and hexane as eluent to obtain 2a in (0.16 g) 72percent yield.(2) Indene (259 mmol, 30 g) and distilled water (9 mL) were put into dimethyl sulfoxide (DMSO, 90 mL), the temperature was decreased to 0°C, and N-bromosuccinimide (NBS, 263 mmol, 46.9 g) was slowly added thereto. The temperature of this solution was increased to normal temperature, and the solution was agitated for 12 hours. After that, after the reaction was finished by distilled water, the organic layer was extracted with diethyl ether, and moisture was removed by anhydrous magnesium sulfate. After the filtration under reduced pressure, compound B (38.9 g, 72percent) was obtained by removing the solvent by reducing the pressure of the filtered solution and recrystallizing the solution by hexane. 14.3 g of compound B and p-toluenesulfonic acid (p-TsOH, 2.6 mmol, 0.5 g) were dissolved in 60 mL of toluene, and agitated and heated for 24 hours while water was removed by using the Tin-Stock method. Compound C (7.8 g, 60percent) was obtained by decreasing the temperature of the solution to normal temperature and using the fractionation method.Preparation of 2-Bromoindene

Computed Properties

Molecular Weight:195.06
XLogP3:3.1
Exact Mass:193.97311
Monoisotopic Mass:193.97311
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 10485-09-3

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CAS No.: 10485-09-3

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