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1,3-DIACETOXYINDOLE

1,3-DIACETOXYINDOLE structure

CAS No:
16800-67-2
Formula:
C12H11NO3
Chemical Name:
1,3-DIACETOXYINDOLE
Synonyms:
INDOXYL 1,3-DIACETATE;1,3-DIACETOXYINDOLE;ACETIC ACID 1-ACETYL-1H-INDOL-3-YL ESTER;AKOS AU36-M367;AKOS 92481;N-ACETYLINDOL-3-YL ACETATE;N-ACETYL-3-ACETOXYINDOLE;1-acetyl-1h-indol-3-oacetate(ester)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Light Brown Solid

1,3-DIACETOXYINDOLE Basic Attributes

Molecular Weight：

217.22

Exact Mass：

217.073898

HScode：

29339900

Characteristics

PSA：

48.30000

XLogP3：

1.52

Appearance：

Light brown solid

Density：

1.21±0.1 g/cm3(Predicted)

Melting Point：

80 °C

Boiling Point：

345.3±15.0 °C(Predicted)

Flash Point：

162.6±20.4 °C

Refractive Index：

1.579

Storage Conditions：

−20°C

Vapor Pressure：

6.21E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1,3-DIACETOXYINDOLE Use and Manufacturing

An indole derivative

Computed Properties

Molecular Weight:217.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:48.3
Heavy Atom Count:16
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Acetyl-1H-indol-3-yl acetate

CAS No.: 16800-67-2

Content: 99.00%

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