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4-Nitroindole

4-Nitroindole structure

CAS No:
4769-97-5
Formula:
C8H6N2O2
Chemical Name:
4-Nitroindole
Synonyms:
1H-Indole,4-nitro-;Indole,4-nitro-;4-Nitro-1H-indole;4-Nitroindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow Crystalline Solid

4-Nitroindole Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

DSSTox ID：

DTXSID60197243

HScode：

2933990090

Characteristics

PSA：

61.6

XLogP3：

2.6

Appearance：

Yellow Crystalline Solid

Density：

1.4±0.1 g/cm3

Melting Point：

205-206 °C

Boiling Point：

362.6°C at 760 mmHg

Flash Point：

173.1±20.4 °C

Refractive Index：

1.723

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R68

safety instructions：

S45-S36/37

Marks：

Xn:Harmful

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitroindole Use and Manufacturing

4-Nitroindole is an intermediate for the preparation of indole compounds useful in treatment of pain, inflammation.

Computed Properties

Molecular Weight:162.15
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:61.6
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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