CAS:1458-01-1 / methyl 3,5-diamino-6-chloropyrazine-2-carboxylate--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 1458-01-1
methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Structure
Name: methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Synonyms:

General Information

Product Number: 1458011

CAS Registry Number: 1458-01-1

Name:

2-Pyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl ester

Pyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl ester (7CI,8CI,9CI); 3,5-Diamino-6-chloropyrazine-2-carboxylic acid methyl ester; Methyl 3,5-diamino-6-chloropyrazinecarboxylate

Chemical Formula: C6H7ClN4O2

Exact Mass: 202.03

Molecular Weight: 202.60

m/z: 202.03 (100.0%), 204.02 (32.0%), 203.03 (6.6%), 205.03 (2.2%), 203.02 (1.5%)

Elemental Analysis: C, 35.57; H, 3.48; Cl, 17.50; N, 27.65; O, 15.79

InChI: InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)

InChIKey: KOOBYHRLTYIPTH-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C1=C(N=C(C(=N1)Cl)N)N

Thermal Properties	Value	Condition	Note
Melting Point	212-213 °C		(5)CAS
Melting Point	212-213 °C		(6)CAS
Melting Point	212-213 °C	Solv: acetonitrile (75-05-8)	(7)CAS
Melting Point	212-213 °C	Solv: acetonitrile (75-05-8)	(8)CAS
Melting Point	210-212 °C		(9)CAS

Specification

98%

References

(2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(3) Smith, Robert L.; Journal of the American Chemical Society 1979, V101(1), P191-201 CAPLUS
(4) Goerlitzer, Klaus; Scientia Pharmaceutica 2004, V72(2), P109-120 CAPLUS
(5) Cragoe, Edward J., Jr.; BE 639386 1964 CAPLUS
(6) Cragoe, Edward J.; GB 1083901 1967 CAPLUS
(7) Cragoe, Edward J., Jr.; US 3313813 1967 CAPLUS
(8) Cragoe, Edward J.; US 3361748 A 1968 CAPLUS
(9) Cragoe, Edward J., Jr.; BE 639393 1964 CAPLUS

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