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Methyl3-amino-6-chloropyrazine-2-carboxylate

Methyl3-amino-6-chloropyrazine-2-carboxylate structure

CAS No:
1458-03-3
Formula:
C6H6ClN3O2
Chemical Name:
Methyl3-amino-6-chloropyrazine-2-carboxylate
Synonyms:
Methyl3-amino-6-chloropyrazine-2-carboxylate;Methyl2-amino-5-chloropyrazine-3-carboxylate;3-aMino-6-chloropyrazine-2-carboxylateMethylester;3-Amino-6-chloro-2-pyrazinecarboxylicacidmethylester;3-Amino-6-chloro-pyrazine-2-carboxylicacidmethylester;2-Pyrazinecarboxylicacid,3-amino-6-chloro-,methylester
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Methyl3-amino-6-chloropyrazine-2-carboxylate Basic Attributes

Molecular Weight：

187.58

Exact Mass：

187.014847

DSSTox ID：

DTXSID70356460

HScode：

2933990090

Characteristics

PSA：

78.1

XLogP3：

1.1

Density：

1.5±0.1 g/cm3

Melting Point：

159-161ºC

Boiling Point：

334.735ºC at 760 mmHg

Flash Point：

156.2±26.5 °C

Refractive Index：

1.592

Vapor Pressure：

0mmHg at 25°C

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Methyl3-amino-6-chloropyrazine-2-carboxylate Use and Manufacturing

Acetonitrile (500 mL), Compound 1 (100 g, 0.653 mol), and NCS (87.2 g, .653 mol) were added to a 1 L three-necked flask and the mixture was heated to 82°C for 12 hours to complete the reaction. Acetonitrile was concentrated and removed, and recrystallized from petroleum ether/ethyl acetate to give a bright green crystalline Compound 2 (112.7 g, 92percent).

Computed Properties

Molecular Weight:187.58
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:187.0148541
Monoisotopic Mass:187.0148541
Topological Polar Surface Area:78.1
Heavy Atom Count:12
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 3-amino-6-chloropyrazine-2-carboxylate

CAS No.: 1458-03-3

Content: 99.00%

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Guide of Methyl3-amino-6-chloropyrazine-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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Methyl3-amino-6-chloropyrazine-2-carboxylate

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