(2-オキソ-1(2H)-ピリミジニル)酢酸

2-(2-Oxo-1,2-dihydropyrimidin-1-yl)acetic acid

HCID 1096409

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 95209-83-9
標準SMILES: O=C(O)Cn1cccnc1=O
InChIKey: KBXHYBZGGLURJU-UHFFFAOYSA-N
分子式: C6H6N2O3
平均分子量: 154.12 g/mol
単同位体質量: 154.03784206

名称と識別子

優先名称: 2-(2-Oxo-1,2-dihydropyrimidin-1-yl)acetic acid
IUPAC: 2-(2-oxopyrimidin-1-yl)acetic acid
現地名: (2-オキソ-1(2H)-ピリミジニル)酢酸
英語名: 1(2H)-Pyrimidineaceticacid,2-oxo-(9CI)
分子式: C6H6N2O3
分子量: 154.12

名称と別名

2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetic acidRefChem:454322874-971-195209-83-9(2-oxopyrimidin-1(2H)-yl)acetic acid2-(2-Oxopyrimidin-1(2H)-yl)acetic acid2-(2-oxopyrimidin-1-yl)acetic acidMFCD06011114(2-Oxo-1(2H)-pyrimidinyl)acetic acid(2-Oxo-2H-pyrimidin-1-yl)-acetic acid2-(2-oxohydropyrimidinyl)acetic acid[2-oxopyrimidin-1(2H)-yl]acetic acid

名称をさらに表示

(2-オキソ-1(2H)-ピリミジニル)酢酸(2-オキソピリミジン-1(2H)-イル)酢酸1(2H)-Pyrimidineaceticacid,2-oxo-(9CI)(2-oxo-1(2H)-pyrimidinyl)acetic acid(SALTDATA: FREE)

1(2H)-Pyrimidineacetic acid, 2-oxo-SCHEMBL1155881DTXSID80360270KBXHYBZGGLURJU-UHFFFAOYSA-NALBB-005387SBB010342AKOS000147078SB56132

データベース識別子

CAS: 95209-83-9
PubChem CID: 1096409
DTXSID: DTXSID80360270
EC Number: 874-971-1

物性

構造計算による物性

XLogP: -0.9
極性表面積: 70 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 244

物理化学的性質

外見: solid
InChI: 1S/C6H6N2O3/c9-5(10)4-8-3-1-2-7-6(8)11/h1-3H,4H2,(H,9,10)
InChIKey: KBXHYBZGGLURJU-UHFFFAOYSA-N
SMILES: O=C(N=CC=C1)N1CC(O)=O

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 (100%): 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 1 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 (100%)

安全データ

wgk: 3
hazard_class: IRRITANT
ストレージクラス: 13 - Non Combustible Solids

化学と産業

サプライヤー10 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Aladdin Scientific[email protected]

凯试（上海）科技有限公司021-50135380 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]

化合物ノート

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