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4-Bromoindole

4-Bromoindole structure

CAS No:
52488-36-5
Formula:
C8H6BrN
Chemical Name:
4-Bromoindole
Synonyms:
1H-Indole,4-bromo-;Indole,4-bromo-;4-Bromo-1H-indole;4-Bromoindole;1425049-60-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear yellowish-green or dark brown liquid

4-Bromoindole Basic Attributes

Molecular Weight：

196.04

Exact Mass：

196.04

BRN：

114891

EC Number：

-0

DSSTox ID：

DTXSID50350300

HScode：

29339990

Characteristics

PSA：

15.8

XLogP3：

3.4

Appearance：

Yellow oil

Density：

1.7±0.1 g/cm3

Melting Point：

15 °C

Boiling Point：

96 °C @ Press: 1 Torr

Flash Point：

230 °F

Refractive Index：

1.712

Water Solubility：

Not miscible in water.

Storage Conditions：

0-6°C

Safety Information

Hazard category：

IRRITANT, KEEP COLD

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Hazard note：

Keep Cold/Light Sensitive

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (95.35%): 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 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromoindole Use and Manufacturing

A potential inhibitor of GSK-3

Computed Properties

Molecular Weight:196.04
XLogP3:3.4
Hydrogen Bond Donor Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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