2,6-ピリジンジカルボン酸モノメチル

6-(Methoxycarbonyl)pyridine-2-carboxylic acid

HCID 4019172

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7170-36-7
標準SMILES: COC(=O)c1cccc(C(=O)O)n1
InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N
分子式: C8H7NO4
平均分子量: 181.15 g/mol
単同位体質量: 181.0375077

名称と識別子

優先名称: 6-(Methoxycarbonyl)pyridine-2-carboxylic acid
IUPAC: 6-methoxycarbonylpyridine-2-carboxylic acid
現地名: 2,6-ピリジンジカルボン酸モノメチル
英語名: 2,6-Pyridinedicarboxylic acid monomethyl ester
分子式: C8H7NO4
分子量: 181.15

名称と別名

6-(methoxycarbonyl)pyridine-2-carboxylic acidRefChem:539758808-166-37170-36-72,6-Pyridinedicarboxylic acid monomethyl ester6-(methoxycarbonyl)picolinic acid6-methoxycarbonylpyridine-2-carboxylic AcidMFCD008061096-(methoxycarbonyl)-2-pyridinecarboxylic acidMonomethyl 2,6-Pyridinedicarboxylate2,6-Pyridinedicarboxylic acid, monomethyl esterMonomethyl Dipicolinate

名称をさらに表示

2,6-ピリジンジカルボン酸モノメチルジピコリン酸モノメチル2,6-ピリジン二カルボン酸モノメチルエステル6-(メトキシカルボニル)ピリジン-2-カルボン酸6-carbomethoxypicolinic aciddipicolinic acid methyl ester2,6-Pyridinedicarboxylic acid monomethMonomethyl 2,6-Pyridinedicarboxylate >6-methoxycarbonyl-2-pyridinecarboxylic acid

Oprea1_037130SCHEMBL15004106-(methoxycarbonyl)picolinicacid6-methoxy-carbonylpicolinic acidSCHEMBL29509427Dipicolinic Acid Monomethyl EsterDTXSID00398575VWIOMFMPIVMLIR-UHFFFAOYSA-N

データベース識別子

CAS: 7170-36-7
PubChem CID: 4019172
DTXSID: DTXSID00398575
EC Number: 808-166-3
Nikkaji: J1.852.883E、J640.573H

物性

構造計算による物性

XLogP: 0.9
極性表面積: 76.5 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 216

物理化学的性質

融点: 144 · 144-146°C
沸点: 393 °C · 393°C
比重(密度): 1.361 · 1.361±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.27 · 3.27±0.10(Predicted)
色: White to Almost white
InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(C(O)=O)=CC=C1
CAS データベース: 7170 · 7170-36-7(CAS DataBase Reference)

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 (50%): 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 2 reports by companies from 2 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. 2A (100%)；STOT SE 3 (50%)

安全データ

hs_code: 2933399990
hazard_code: Xi

化学と産業

応用分野

使用2,6-Pyridinedicarboxylic Acid Monomethyl Ester can be used as chemical scavengers.

上流・下流製品情報

上流原料

メタノール 2,6-ピリジンジカルボン酸ジメチルピリジン-2,6-ジカルボン酸ジクロリドカリウムヒドロキシド

下流製品

ピリジン-2,6-ジカルボン酸ジクロリド

サプライヤー100 社

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

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

化合物ノート

読み込み中…