HCID72662

Methyl pyrazinoate

methyl pyrazine-2-carboxylate

C6H6N2O2138.12 g/molCAS 6164-79-0

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cnccn1
InChIKey: TWIIRMSFZNYMQE-UHFFFAOYSA-N
分子式: C6H6N2O2
平均分子量: 138.12 g/mol
单同位素质量: 138.04292744

COMPUTED

结构计算性质

已同步

XLogP: -0.2
极性表面积: 52.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 10
形式电荷: 0
复杂度: 127

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

2-Pyrazinecarboxylic acid, methyl ester: INACTIVE

ALIASES

名称与别名

共 64 条

6164-79-0Methyl 2-pyrazinecarboxylateMethyl pyrazinoatePyrazinoic acid methyl esterPyrazinecarboxylic acid, methyl esterMethyl pyrazinecarboxylate2-Pyrazinecarboxylic acid, methyl esterPyrazine-2-carboxylic acid, methyl ester2-methoxycarbonylpyrazine90NZ6P9NG2EINECS 228-198-6NSC 32337NSC-32337Methyl pyrazine 2-carboxylateDTXSID4064131PYRAZINAMIDE IMPURITY A [EP IMPURITY]PYRAZINAMIDE IMPURITY A (EP IMPURITY)RefChem:818062DTXCID6043092228-198-6

REACTIONS

参与反应

41 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084155B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849633B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423061B2

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uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04766125

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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