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5-Bromo-4-chloro-1H-indol-3-yl octanoate

5-Bromo-4-chloro-1H-indol-3-yl octanoate structure

CAS No:
129541-42-0
Formula:
C16H19BrClNO2
Chemical Name:
5-Bromo-4-chloro-1H-indol-3-yl octanoate
Synonyms:
Octanoic acid,5-bromo-4-chloro-1H-indol-3-yl ester;5-Bromo-4-chloro-1H-indol-3-yl octanoate
Categories:
Chemical Reagents > Organic Reagents

Description

5-bromo-4-chloro-3-indolyl octanoate is a carboxylic ester obtained by formal condensation of the carboxy group of octanoic (caprylic) acid with the hydroxy group of 5-bromo-4-chloroindoxyl. It is an octanoate ester, a chloroindole and a bromoindole. It derives from an indoxyl.

5-Bromo-4-chloro-1H-indol-3-yl octanoate Basic Attributes

Molecular Weight：

372.68

Exact Mass：

372.68

DSSTox ID：

DTXSID10394649

HScode：

2933990090

Characteristics

PSA：

42.1

XLogP3：

5.84970

Appearance：

white to off-white crystalline

Density：

1.397

Melting Point：

55-59ºC

Boiling Point：

482.6±40.0 °C(Predicted)

Flash Point：

245.7ºC

Refractive Index：

1.592

Storage Conditions：

−20°C

Vapor Pressure：

1.8E-09mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Computed Properties

Molecular Weight:372.7
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:371.02877
Monoisotopic Mass:371.02877
Topological Polar Surface Area:42.1
Heavy Atom Count:21
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Octanoic acid 5-bromo-4-chloro-1H-indol-3-yl ester

CAS No.: 129541-42-0

Content: 99.00%

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5-Bromo-4-chloro-3-indolyl caprylate 99% white powder kanbei

CAS No.: 129541-42-0

Grade: Industrial Grade

Content: 99%

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Guide of 5-Bromo-4-chloro-1H-indol-3-yl octanoate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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