ピリジン-2-カルボキシイミドアミド塩酸塩

Pyridine-2-carboximidamide hydrochloride

HCID 12403615CAS 51285-26-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.N=C(N)c1ccccn1
InChIKey: GMHCEDDZKAYPLB-UHFFFAOYSA-N
分子式: C6H8ClN3
平均分子量: 157.6 g/mol
単同位体質量: 157.040675

名称と識別子

優先名称: Pyridine-2-carboximidamide hydrochloride
IUPAC: pyridine-2-carboximidamide;hydrochloride
現地名: ピリジン-2-カルボキシイミドアミド塩酸塩
英語名: Pyridine-2-carboximidamide hydrochloride
分子式: C6H8ClN3
分子量: 157.6

名称と別名

pyridine-2-carboximidamide hydrochlorideRefChem:870733676-441-351285-26-8picolinimidamide hydrochloride2-Amidinopyridine hydrochloridePyridine-2-carboxamidine hydrochlorideMFCD00052271pyridine-2-carboximidamide;hydrochloridePICOLINAMIDINE HYDROCHLORIDE2-AMIDINOPYRIDINIUM CHLORIDE61097-49-2

名称をさらに表示

ピリジン-2-カルボキシイミドアミド塩酸塩ピリジン‐2‐カルボキシイミドアミド塩酸塩2-アミジノピリジニウムクロリドピリジン-2-カルボキシアミジン塩酸塩2-AmidinopyridineBUTTPARK 32\03-542-AmidinopyridiniumHClhydratePyridin-2-carboximidamide HClPyridine-2-carboximidamide, HCl

Pyridine-2-carboxamidine HCl2-Pyridinecarboximidamide, monohydrochloride2-PYRIDINECARBOXIMIDAMIDE HYDROCHLORIDEPICOLINAMIDINE HCLPICOLINIMIDAMIDE HCLpicolinimidamidehydrochloridePicolinimidamide xhydrochlorideSCHEMBL857460

データベース識別子

CAS: 51285-26-8
PubChem CID: 12403615
DTXSID: DTXSID30496598
EC Number: 676-441-3

物性

構造計算による物性

極性表面積: 62.8 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 111

物理化学的性質

融点: 150 · 150-152°C
貯蔵温度: Inert atmosphere,Room Temperature
外見: crystals
色: Off-white
BRN: 3562671 · 3562671
InChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChIKey: GMHCEDDZKAYPLB-UHFFFAOYSA-N
SMILES: C(C1N=CC=CC=1)(N)=N.Cl
CAS データベース: 51285 · 51285-26-8(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 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 CategoriesAcute Tox. 4 (12.5%)；Acute Tox. 4 (12.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (12.5%)；STOT SE 3 (87.5%)

安全データ

hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39-37
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用Pyridine-2-carboximidamide hydrochloride serves as a reactant in the synthesis of 1,4-bis[2,6-bis(2-pyridyl)pyrimidin-4-yl]benzene (L1), reacting with 1,4-bis[3-(pyridine-2-yl)propene-1-one]phenylene in ethanol with potassium hydroxide under reflux[6]. As a monoamidine ligand additive, pyridine-2-carboximidamide hydrochloride is incorporated into perovskite precursor solutions to passivate defect sites in the perovskite film[7].