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5-Bromoindole

5-Bromoindole structure

CAS No:
10075-50-0
Formula:
C8H6BrN
Chemical Name:
5-Bromoindole
Synonyms:
1H-Indole,5-bromo-;Indole,5-bromo-;5-Bromo-1H-indole;5-Bromoindole;NSC 75581
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

white to light brown powder or chunks

5-Bromoindole Basic Attributes

Molecular Weight：

196.04

Exact Mass：

196.04

EC Number：

233-208-7

NSC Number：

75581

DSSTox ID：

DTXSID6073996

HScode：

29339990

Characteristics

PSA：

15.8

XLogP3：

Appearance：

white to beige crystalline powder

Density：

1.5466 (rough estimate)

Melting Point：

90-92 °C

Boiling Point：

228.5°C (rough estimate)

Flash Point：

145.5±20.4 °C

Refractive Index：

1.6550 (estimate)

Water Solubility：

H2O: 126mg/l (calculated)

Storage Conditions：

-20ºC

Vapor Pressure：

0.000738mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36-24/25-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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 59 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromoindole Use and Manufacturing

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:196.04
XLogP3:3
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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