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3-CYANO-5-NITROINDOLE

3-CYANO-5-NITROINDOLE structure

CAS No:
7147-14-0
Formula:
C9H5N3O2
Chemical Name:
3-CYANO-5-NITROINDOLE
Synonyms:
5-nitro-1H-indole-3-carbonitrile;3-Cyano-5-nitroindole;5-Nitroindole-3-carbonitrile;1H-Indole-3-carbonitrile,5-nitro-;NSC62402;4-methoxybenzoicacid;SCHEMBL3301497;CTK5D4230;DTXSID20289618;5-nitro-1H-indol-3-carbonitrile
Categories:
Chemical Reagents > Organic Reagents

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3-CYANO-5-NITROINDOLE Basic Attributes

Molecular Weight：

187.16

Exact Mass：

187.038177

NSC Number：

62402

DSSTox ID：

DTXSID20289618

HScode：

2933990090

Characteristics

PSA：

85.4

XLogP3：

2.1

Density：

1.5±0.1 g/cm3

Melting Point：

186-190ºC

Boiling Point：

452.9°C at 760 mmHg

Flash Point：

227.7±23.2 °C

Refractive Index：

1.703

3-CYANO-5-NITROINDOLE Use and Manufacturing

General procedure: A mixture of CuI (0.6 mmol), indoles (0.5 mmol) and benzyl cyanide (0.6 mmol) in DMF (3.0 mL) was stirred under air at 100 °C for 34 h and then cooled to room temperature. After the reaction mixture was quenched with 10 mL of water, it was extracted with DCM (3×10 mL). The combined organic layers were washed with the saturated aqueous solution of sodium chloride and dried over MgSO

Computed Properties

Molecular Weight:187.15
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:187.038176411
Monoisotopic Mass:187.038176411
Topological Polar Surface Area:85.4
Heavy Atom Count:14
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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7147-14-0 5-nitro-1H-indole-3-carbonitrile

CAS No.: 7147-14-0

Grade: Industrial Grade

Content: 95%

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