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6-Nitroindoline

6-Nitroindoline structure

CAS No:
19727-83-4
Formula:
C8H8N2O2
Chemical Name:
6-Nitroindoline
Synonyms:
1H-Indole,2,3-dihydro-6-nitro-;Indoline,6-nitro-;2,3-Dihydro-6-nitro-1H-indole;6-Nitroindoline;6-Nitro-2,3-dihydro-1H-indole;NSC 80658

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6-Nitroindoline Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.16

EC Number：

243-257-6

NSC Number：

80658

DSSTox ID：

DTXSID90173393

HScode：

2933990090

Characteristics

PSA：

57.85000

XLogP3：

2.22400

Appearance：

Yellow crystals

Density：

1.2739

Melting Point：

67-69 °C

Boiling Point：

291.62°C (rough estimate)

Flash Point：

139.3ºC

Refractive Index：

1.6000 (estimate)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.000762mmHg at 25°C

PKA：

3.39±0.20

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

NM1950000

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Warning|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Nitroindoline Use and Manufacturing

• ;Reactant for preparation of 2-[(2,3-Dihydro-1H-indol-1-yl)methyl]melatonin analogs as novel MT2-selective melatonin receptor antagonists1• ;Reactant for synthesis of isoindigo and azaisoindigo glycosides as anticancer agents2• ;Reactant for preparation of arylfurancarboxamides with Nav1.8 voltage-gated Na channel blocking/analgesic activities3• ;Reactant for preparation of bicyclic benzamides as 5-HT1 receptor agonists4• ;Reactant for preparation of antiarrhythmic benzopyrans5• ;Reactant for preparation of 5-HT2C/2B receptor antagonists6

Computed Properties

Molecular Weight:164.16
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:164.058577502
Monoisotopic Mass:164.058577502
Topological Polar Surface Area:57.8
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Nitroindoline

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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