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1-Acetylindole-3-carboxaldehyde

1-Acetylindole-3-carboxaldehyde structure

CAS No:
22948-94-3
Formula:
C11H9NO2
Chemical Name:
1-Acetylindole-3-carboxaldehyde
Synonyms:
1H-Indole-3-carboxaldehyde,1-acetyl-;Indole-3-carboxaldehyde,1-acetyl-;1-Acetyl-1H-indole-3-carboxaldehyde;1-Acetylindole-3-carboxaldehyde;N-Acetyl-1H-indole-3-carboxaldehyde;N-Acetylindol-3-carboxaldehyde;NSC 61289;N-Acetyl-3-indolecarboxaldehyde;1-Acetyl-3-formyl-1H-indole;1-Acetyl-3-formylindole;1-Acetyl-1H-indole-3-carbaldehyde;1-Acetylindole-3-carbaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

1-acetylindole-3-carboxaldehyde is an N-acylindole that is N-acetylindole carrying an additional formyl substituent at position 3. It has a role as a plant metabolite. It is a N-acylindole and an arenecarbaldehyde.

1-Acetylindole-3-carboxaldehyde Basic Attributes

Molecular Weight：

187.19500

Exact Mass：

187.19

EC Number：

245-347-0

NSC Number：

61289

DSSTox ID：

DTXSID60177489

HScode：

2933990090

Characteristics

PSA：

39.07000

XLogP3：

2.11390

Appearance：

Light yellow crystals

Density：

1.19g/cm3

Melting Point：

159-162 °C

Boiling Point：

336ºC

Flash Point：

157ºC

Refractive Index：

1.598

Vapor Pressure：

0.000116mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Warning|H315 (100%): 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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:187.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:39.1
Heavy Atom Count:14
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 22948-94-3

Grade: Pharmaceutical Grade

Content: 99%

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N-Acetylindole-3-carboxaldehyde

CAS No.: 22948-94-3

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Content: 98%

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Guide of 1-Acetylindole-3-carboxaldehyde

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