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5-Nitroquinoline

5-Nitroquinoline structure

CAS No:
607-34-1
Formula:
C9H6N2O2
Chemical Name:
5-Nitroquinoline
Synonyms:
Quinoline,5-nitro-;5-Nitroquinoline;NSC 65583;5-(Hydroxyl[oxido]amino)quinoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to light yellow crystal powder

5-Nitroquinoline Basic Attributes

Molecular Weight：

174.16

Exact Mass：

174.16

EC Number：

210-134-3

NSC Number：

65583

DSSTox ID：

DTXSID8075255

HScode：

29334900

Characteristics

PSA：

58.7

XLogP3：

1.9

Density：

1.4±0.1 g/cm3

Melting Point：

74 °C

Boiling Point：

70-73°C

Flash Point：

149.2±20.9 °C

Refractive Index：

1.682

Water Solubility：

16.3 [ug/mL]

Toxicity：

mmo-sat 10 mg/plate MUREAV 92,29,82

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-40-68-36/37/38

safety instructions：

7-22-36-45-36/37/39-26

RTECS Number：

VC1850000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332-H351

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-nitroisoquinoline

5-Nitroquinoline Use and Manufacturing

Methods of Manufacturing

Pure HHGeneral procedure: In a 10 mL Schlenk tube, Fe(OTf)2 (0.005 mmol, 1.8 mg), quinoline (0.5 mmol, 72 mg), Hantzsch ester A(1.25 mmol, 318 mg), and 1.0 mL CHCl3were added. The mixture was stirred at 40oCfor 2 h. The solution was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to afford the pure 1, 2, 3, 4-tetrahydroquinoline (63.8 mg, 96% yield).Elemental iodine (0.05 mmol) and General procedure: mixture of

Uses

Used as organic synthesis reagent

Computed Properties

Molecular Weight:174.16
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Exact Mass:174.042927438
Monoisotopic Mass:174.042927438
Topological Polar Surface Area:58.7
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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