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5-Nitroisoquinoline

5-Nitroisoquinoline structure

CAS No:
607-32-9
Formula:
C9H6N2O2
Chemical Name:
5-Nitroisoquinoline
Synonyms:
Isoquinoline,5-nitro-;5-Nitroisoquinoline;NSC 3017
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

light yellow crystal powder

5-Nitroisoquinoline Basic Attributes

Molecular Weight：

174.16

Exact Mass：

174.16

BRN：

134858

EC Number：

210-133-8

NSC Number：

3017

DSSTox ID：

DTXSID00209511

HScode：

2933499090

Characteristics

PSA：

58.7

XLogP3：

1.9

Appearance：

Yellow powder.

Density：

1.4±0.1 g/cm3

Melting Point：

110 °C

Boiling Point：

340ºC

Flash Point：

159.7±20.9 °C

Refractive Index：

1.682

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

hazard class code：

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

safety instructions：

26-37/39-36/37/39-36-22

Marks：

Xi,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

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]|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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-nitroisoquinoline

5-Nitroisoquinoline Use and Manufacturing

Methods of Manufacturing

General procedure for the preparation of isoquinolin-5-amine (6) To a solution of isoquinoline (120g, 0.929 mol) in HTo a solution of isoquinoline (120 g, 0.929 mol) in HTo a solution of isoquinoline (120 g, 0.929 mol) in H2S04 (1 L) was added KNO3 (112.6 g, 1.115 mol) at -15°C (dropwise). The mixture was stirred at room temperature for 2 hours. TLC (petroleum ether: ethyl acetate= 2: 1) showed complete conversion. The mixture was added to water (3 L) at 0°C. The mixture was adjusted to pH 8 by the addition of NH4OH and filtered. The filter cake was washed with methyl tertbutyl ether (1 L x 2) and concentrated under vacuum to give 5-nitro- isoquinoline (160 g, 94percent) as a yellow solid.A solution of potassium nitrate (0.04 mol, 4.05 g) in conc. sulphuric acid (23 mL) was added drop-wise to a solution of isoquinoline 1 (0.04 mol, 5 g) in 23 mL of conc. sulphuric acid, with a continual stirring at 0°C for 2 hr. After complete addition, the reaction mixture was poured into crushed ice, and neutralized by ~ 150 mL of ammonia solution. The obtained green precipitate was then filtered off. After drying, a crude pale green solid of 2 was obtained which was purified by recrystallization from toluene, giving dark green needles (4.5 g, 66.76percent).

Uses

For pharmaceuticals

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

Recommended Suppliers of 5-Nitroisoquinoline

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5-Nitroisoquinoline

CAS No.: 607-32-9

Content: 99.00%

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Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

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Manufactory Supplier of fine chemicals,pharmaceutical materials

5-Nitroisoquinoline

CAS No.: 607-32-9

Grade: industrial Grade

Content: 98%

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