3-Pyridinecarboxaldehyde, 2-amino- (HCID 737633)

名称と識別子

優先名称: 3-Pyridinecarboxaldehyde, 2-amino-
IUPAC: 2-aminopyridine-3-carbaldehyde
現地名: 2-アミノニコチンアルデヒド
英語名: 2-Amino-3-pyridinecarboxaldehyde
分子式: C6H6N2O
分子量: 122.12

名称と別名

7521-41-72-Amino-3-pyridinecarboxaldehyde3-Pyridinecarboxaldehyde, 2-amino-DTXSID20226184RefChem:95394DTXCID20148675NXMFJCRMSDRXLD-UHFFFAOYSA-N2-Aminonicotinaldehyde2-aminopyridine-3-carbaldehyde2-Amino-3-formylpyridine2-Aminopyridine-3-carboxaldehyde2-amino-pyridine-3-carbaldehyde

名称をさらに表示

2-アミノニコチンアルデヒド2-アミノピリジン-3-カルボキシアルデヒド2-アミノ-3-ピリジンカルバルデヒド2-アミノ-3-ホルミルピリジン2-アミノ-3-ピリジンカルボキシアルデヒド2-アミノピリジン-3-カルボキシアルデヒド, 98%3-formylpyridin-2-amine2-aminonicotinaldehyde 12-Aminonicotinaldehyde 99%2-Aminonicotinaldehyde >2-Aminopyridine-3-carboxaL2-AMINO-PYRIDIN-3-CARBALDEHYDE

MFCD018303822-Amino-3-pyridine carboxaldehyde2-amino nicotinaldehyde2-amino-3 formylpyridine2-amino-3-formyl-pyridineSCHEMBL120361orb2940100SCHEMBL5394033

データベース識別子

CAS: 7521-41-7
PubChem CID: 737633
DTXSID: DTXSID20226184
EC Number: 626-730-5
Nikkaji: J886.528K

物性

構造計算による物性

XLogP: 0.5
極性表面積: 56 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: 1
重原子数: 9
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 98 · 98-102 °C (lit.)
沸点: 290.7 · 290.7±25.0 °C(Predicted)
比重(密度): 1.264 · 1.264±0.06 g/cm3(Predicted)
闪点: 300 ℃ · >300℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 4.99 · 4.99±0.36(Predicted)
外見: 粉末、結晶および/またはチャンク
色: 黄色から薄茶色
水溶解度: 不溶性
BRN: 109598 · 109598
InChI: InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)
InChIKey: NXMFJCRMSDRXLD-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1C=O
CAS データベース: 7521 · 7521-41-7(CAS DataBase Reference)

化学的性質

化学的特性yellow crystals

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 (98%): 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 50 reports by companies from 10 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 (98%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
packing_group: II
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

調製方法 · 1 件

製造方法Preparative Methods of 2-Amino-3-pyridinecarboxaldehyde: the reagent is best when freshly prepared. A multistep procedure starting from 2-amino-3- picoline has been improved upon by a simple two-step approach. Sulfamation of nicotinamide with ammonium sulfamate (both commercially available) provides 2-(3′-pyridyl)pyrido[2,3-d]pyridimine which may be hydrolyzed in 2 N HCl to provide the reagent (eq 1)[1]. Substituted derivatives of the reagent may be prepared via a similar intermediate.