2-メチルピリミジ-5-カルボアルデヒド

2-Methylpyrimidine-5-carbaldehyde

HCID 3160970

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 90905-33-2
標準SMILES: Cc1ncc(C=O)cn1
InChIKey: IJBONYUNKRDIFC-UHFFFAOYSA-N
分子式: C6H6N2O
平均分子量: 122.12 g/mol
単同位体質量: 122.04801282

名称と識別子

優先名称: 2-Methylpyrimidine-5-carbaldehyde
IUPAC: 2-methylpyrimidine-5-carbaldehyde
現地名: 2-メチルピリミジ-5-カルボアルデヒド
英語名: 2-Methylpyrimidine-5-carbaldehyde
分子式: C6H6N2O
分子量: 122.12

名称と別名

2-methylpyrimidine-5-carbaldehyde90905-33-2DTXSID10390282RefChem:263986DTXCID60341143827-790-75-Formyl-2-methylpyrimidine2-Methyl-pyrimidine-5-carbaldehydeMFCD071864342-METHYL-5-PYRIMIDINECARBALDEHYDE2-methyl-5-formyl-pyrimidine2-Methyl-pyridine-5-carboxaldehyde

名称をさらに表示

2-メチルピリミジ-5-カルボアルデヒド2-メチル-5-ピリミジンカルボアルデヒド2-メチルピリミジン-5-カルボアルデヒド5-ホルミル-2-メチルピリミジン2-メチルピリミジン-5-カルブアルデヒド2-Methyl-pyriMidin-carbaldehyde2-Methylpyrimidine-5-carbaldehyd2-Methylpyrimidine-5-carboxyaldehyde5-Pyrimidinecarboxaldehyde,2-methyl-

2-methyl-pyrimidine-5-carboxaldehydeSTL553933AKOS0002838542-Methyl-5-pyrimidinecarboxaldehydeF9995-41885-PYRIMIDINECARBOXALDEHYDE, 2-METHYL-BCP03539FT-0603734

データベース識別子

CAS: 90905-33-2
PubChem CID: 3160970
DTXSID: DTXSID10390282
EC Number: 827-790-7
Nikkaji: J433.189C

物性

構造計算による物性

XLogP: 0.1
極性表面積: 42.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 97

物理化学的性質

融点: 68 · 68-690C
沸点: 213.7 · 213.7±13.0 °C(Predicted)
比重(密度): 1.176 · 1.176±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム、メタノール
外見: 個体
酸解離定数(Pka): 0.28 · 0.28±0.22(Predicted)
色: ペールイエロー

化学的性質

化学的特性Pale Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.