5-メチルピラジン-2-カルボン酸

5-Methyl-2-pyrazinecarboxylic acid

HCID 122831
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
5521-55-1
標準SMILES
Cc1cnc(C(=O)O)cn1
InChIKey
RBYJWCRKFLGNDB-UHFFFAOYSA-N
分子式
C6H6N2O2
平均分子量
138.12 g/mol
単同位体質量
138.04292743

名称と識別子

優先名称
5-Methyl-2-pyrazinecarboxylic acid
IUPAC
5-methylpyrazine-2-carboxylic acid
現地名
5-メチルピラジン-2-カルボン酸
英語名
5-Methyl-2-pyrazinecarboxylic acid
分子式
C6H6N2O2
分子量
138.12

名称と別名

5-Methylpyrazine-2-carboxylic Acid5521-55-15-Methyl-2-pyrazinecarboxylic acid2-Methylpyrazine-5-carboxylic acidPyrazinecarboxylic acid, 5-methyl-UNII-B861RS5NHIB861RS5NHI2-Pyrazinecarboxylic acid, 5-methyl-RBYJWCRKFLGNDB-UHFFFAOYSA-DTXSID10203707EC 413-260-9PARITAPREVIR METABOLITE M13
名称をさらに表示
5-メチルピラジン-2-カルボン酸2-メチルピラジン-5-カルボン酸5-メチル-2-ピラジンカルボン酸5‐メチル‐2‐ピラジンカルボン酸2-メチルピラジン-5-カルボン酸, 98%2-Carboxy-5-methylpyrazineN-methyl pyrazine-2-carboxylic acid5MPZATIMTEC-BB SBB006622Glipizide Impurity 7Glipizide Impurity 315-Methyl pyrazine-2-acid3-Carboxy-5-methylpyrazine
5-METHYL-2-PYRAZINOIC ACID5-METHYLPYRAZINE CARBOXYLIC ACIDRefChem:103129DTXCID00126198413-260-9611-241-1InChI=1/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)RBYJWCRKFLGNDB-UHFFFAOYSA-N

データベース識別子

CAS
5521-55-1
PubChem CID
122831
DTXSID
DTXSID10203707
ChEMBL
CHEMBL126651
UNII
B861RS5NHI
EC Number
413-260-9、611-241-1
Nikkaji
J60.976E

物性

構造計算による物性

XLogP
0.4
極性表面積
63.1 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
10

物理化学的性質

融点
167 · 167-171 °C(lit.)
沸点
253.51 °C · 253.51°C (rough estimate)
比重(密度)
1.3471 · 1.3471 (rough estimate)
屈折率
1.51 · 1.5100 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
DMSO（微量）、メタノール（微量）

化学的性質

化学的特性Pale Brown Powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H315 (12.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

Chemical: Pyrazinecarboxylic acid, 5-methyl-

Status: Active Update: 14-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12871

Hazard Classes and Categories · 4 件

Skin Irrit. 2 (12.2%)

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

安全データ

wgk
1
hs_code
29339990
risk_code
41-36/37/38
化審法
新規公示化学物質（2011年3月31日以前届出）
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用5-Methyl-2-pyrazinecarboxylic acid may be used in the preparation of novel europium(III) complexes, (5-methyl-2-pyrazinecarboxylato) (phenanthroline)europium(III). It may be used in the synthesis of Ln-metal organic frameworks (MOFs).

一般的な説明5-Methyl-2-pyrazinecarboxylic acid is a pyrazine derivative. Simultaneous membrane based solvent extraction (MBSE) and membrane based solvent stripping (MBSS) of 5-methyl-2-pyrazine carboxylic acid (MPCA) has been studied. Mechanism of pertraction of MPCA through layered bulk liquid membranes has been studied. MPCA reacts with Ln(NO3)3·6H2O and K4[W(CN)8]·2H2O to form unique three-dimensional network structure which contains open channels.

上流・下流製品情報

サプライヤー100 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
新乡市百信化工有限公司15076321805 13373512662 · [email protected]

関連反応

82 件
反応記録を作成

化合物ノート

読み込み中…