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6-Aminoquinoxaline

6-Aminoquinoxaline structure

CAS No:
6298-37-9
Formula:
C8H7N3
Chemical Name:
6-Aminoquinoxaline
Synonyms:
6-QUINOXALINAMINE;6-AMINOQUINOXALINE;6-Quinoxalineamine;quinoxalin-6-amine;Quinoxaline-6-amine;6-QUINOXALINYLAMINE;QUINOXALIN-6-YLAMINE;Quinoxalin, 6-amino-;6-Aminoquinoxaline ,99%;6-AMinoquinoxaline, 98.0%(GC&T
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow solid

6-Aminoquinoxaline Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.063995

EC Number：

1533716-785-6

UNII：

63DFT3JVT4

NSC Number：

41810

DSSTox ID：

DTXSID40285430

HScode：

29339900

Characteristics

PSA：

51.8

XLogP3：

0.9

Density：

1.3±0.1 g/cm3

Melting Point：

159 °C

Boiling Point：

331.3ºC at 760 mmHg

Flash Point：

180.5±9.5 °C

Refractive Index：

1.724

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38-36/38-22

safety instructions：

24/25-36/39-26

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (93.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 45 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Aminoquinoxaline Use and Manufacturing

b.[0170] To a solution of 6-nitroquinoxaline (2.2 g, 12.57 mmol, 1.0 eq) in MeOH, was added dropwise Ranney-Ni (0.7 mL) and hydrazine hydrate (5 mL) was added at 0 °C. The mixture was stirred for 2 h at RT. The mixture was filtered and washed with MeOH. The solid was dried under vacuo to give the product (1.8 g, yield: 98.75percent>). LC/MS: m/z (MSynthesis of 3-chloro-2-methvl-N-auinoxalin-6-vl-benzenesulfonamide, STX 957:; 6-aminoquinoxaline (KRB01083) :; To a solution of 6-nitroquinoxaline [24] (500 mg, 2.86 mmol) in methanol (20 mL) was added 10percent palladium on carbon (50 mg) and the mixture was stirred under 1 atm H2 for 4 h. The mixture was filtered through celite and the filtrate evaporated. The residue was passed through a silica plug and evaporated to afford 6-aminoquinoxaline as a yellow solid (342 mg, 82percent), single spot at Rf 0.32 (ethyl acetate).'H NMR (CDCI3) : 8 8.65 (1H, d, J= 1.7 Hz), 8.55 (1H, d, J=1.7 Hz), 7.87 (1H, d, J=8. 9 Hz), 7.18 (1H, dd, J=8.9, 2.5 Hz), 7.13 (1H, d, J=2.5 Hz), 4.20 (2H, br. s, -NH2) [25].

Computed Properties

Molecular Weight:145.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:145.063997236
Monoisotopic Mass:145.063997236
Topological Polar Surface Area:51.8
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

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