Methyl pyrazinoate (HCID 72662)

名称と識別子

優先名称: Methyl pyrazinoate
IUPAC: methyl pyrazine-2-carboxylate
現地名: ピラジン-2-カルボン酸メチル
英語名: Methyl pyrazine-2-carboxylate
分子式: C6H6N2O2
分子量: 138.12

名称と別名

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 32337

名称をさらに表示

ピラジン-2-カルボン酸メチル2-ピラジンカルボン酸メチル3-ピラジンカルボン酸メチルピラジン酸メチルピラジンカルボン酸メチルPYRAZINE-2-CARBOXYLIC ACID METHYL ESTERMETHYL PYRAZINE-2-CAAaptamine Impurity 9Methyl pyrazine-2-carboxylatePyrazinecarboxylic acid methylMethyl2-Pyrazinecarboxylate>

NSC-32337Methyl pyrazine 2-carboxylateDTXSID4064131PYRAZINAMIDE IMPURITY A [EP IMPURITY]PYRAZINAMIDE IMPURITY A (EP IMPURITY)RefChem:818062DTXCID6043092228-198-6

データベース識別子

CAS: 6164-79-0
PubChem CID: 72662
DTXSID: DTXSID4064131
ChEMBL: CHEMBL114792
UNII: 90NZ6P9NG2
EC Number: 228-198-6
Nikkaji: J27.880G

物性

構造計算による物性

XLogP: -0.2
極性表面積: 52.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 127

物理化学的性質

融点: 57 · 57-61 °C(lit.)
沸点: 104 °C/7mmHg · 104°C/7mmHg(lit.)
比重(密度): 1.213 · 1.213±0.06 g/cm3(Predicted)
闪点: 100 ° · >100°(212°F)
貯蔵温度: Sealed in dry,Room Temperature
外見: 液体
酸解離定数(Pka): -0.91 · -0.91±0.10(Predicted)
色: 無色透明
Merck: 14 · 14,7959
BRN: 118345 · 118345
InChI: InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
InChIKey: TWIIRMSFZNYMQE-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=CN=C1
LogP: -0.23 · -0.230
CAS データベース: 6164 · 6164-79-0(CAS DataBase Reference)
EPAの化学物質情報: Pyrazinecarboxylic acid, methyl ester (6164-79-0)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2-Pyrazinecarboxylic acid, methyl ester: INACTIVE

応用分野

用途有機合成原料。

上流・下流製品情報

上流原料

メタノールピラジンカルボン酸ヨードメタン N,N-ジメチルホルムアミドジクロロメタンオキサリルクロリド

下流製品

Methyl 2-chloro-6-pyrazinecarboxylate 2-(アミノメチル)ピラジン Pyrazinecarbonyl chloride, 6-chloro- (9CI)6-Chloro-N-(3-isopropoxyphenyl)pyrazine-2-carboxamide

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

长春三邦医药科技有限公司0431-81884431 · [email protected]

ピラジン-2-カルボン酸メチル

基本情報