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Indole-7-carboxaldehyde

Indole-7-carboxaldehyde structure

CAS No:
1074-88-0
Formula:
C9H7NO
Chemical Name:
Indole-7-carboxaldehyde
Synonyms:
1H-Indole-7-carboxaldehyde;Indole-7-carboxaldehyde;7-Formylindole;1H-Indole-7-carbaldehyde
Categories:
Organic Chemistry > Aldehydes

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Description

Yellow Crystalline Solid

Indole-7-carboxaldehyde is a member of indoles.

Indole-7-carboxaldehyde Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

BRN：

1524960

DSSTox ID：

DTXSID50370407

HScode：

29339900

Characteristics

PSA：

32.9

XLogP3：

2.3

Appearance：

Yellow Crystalline Solid

Density：

1.278±0.06 g/cm3(Predicted)

Melting Point：

87-89 °C

Boiling Point：

339.1±15.0 °C(Predicted)

Flash Point：

166.8±27.8 °C

Refractive Index：

1.729

Water Solubility：

insoluble

Storage Conditions：

Keep Cold

Vapor Pressure：

9.42E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H317

GHS Classification：

|Warning|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Indole-7-carboxaldehyde Use and Manufacturing

Methods of Manufacturing

To a solution of the alcohol, (1H-indol-7-yl)-methanol (8.0 g, 54.3 mmol) in 400 mL of methylene chloride was added activated manganese (IV) oxide (85percent, 41.0 g, 0.40 mol), and stirred at ambient temperature for 72 h. Example 17; Preparation of Al3; Indole-7 carboxyldehyde (K-44); Methyl 7-indolecarboxylate was prepared according to literature procedure {Batcho B. and Leimgruber, K., Org. Syn. VoI HV, page 34-40). To a solution of methyl 7-indolecarboxylate (13 g, 74.2 mmol) in anhydrous THF (250 niL) was added LiAlH

Uses

Used in an efficient synthesis of fused pyrroloquinolinedicarboxylates from acetylenedicarboxylates and triphenylphosphine. 1.reactant for preparation of antiandrogens. 2.reactant for preparation of antiplatelet agent. 3.reactant for preparation of liver

Computed Properties

Molecular Weight:145.16
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:32.9
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Manganese oxide (MnO2)

Dimethylformamide

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