CAS 42182-27-4 2-Aminoisonicotinonitrile (HCID 7015524)

名称と識別子

優先名称: 2-Aminoisonicotinonitrile
IUPAC: 2-aminopyridine-4-carbonitrile
現地名: 2-アミノ-4-シアノピリジン
英語名: 2-Amino-4-cyanopyridine
分子式: C6H5N3
分子量: 119.12

名称と別名

2-aminoisonicotinonitrileRefChem:465159677-660-72-Amino-4-cyanopyridine42182-27-42-aminopyridine-4-carbonitrileMFCD037913102-Amino-isonicotinonitrileFlucloxacillin Penilloic Acid4-cyano-2-aminopyridineZ2952033602-Amino-4-cyanopyridin

名称をさらに表示

2-アミノ-4-シアノピリジン2-アミノ-4-シアノピリジン, 97%2-アミノ-4-ピリジンカルボニトリル2-Amino-4-cyanopyrid4-Cyano-2-pyridinamine5-AMINO-4-CYANOPYRIDINE2-Amino-4-cyanopyridine,97%2-Amino-4-pyridinecarbonitrile4-PYRIDINECARBONITRILE, 2-AMINO-2-Amino-4-cyanopyridine ISO 9001：2015 REACH

4-cyanopyridin-2-amine2-amino-4-cyano-pyridine2-Amino-4-Cyano PyridineSCHEMBL312451SCHEMBL907706SCHEMBL11549661SCHEMBL11549664SCHEMBL31294130

データベース識別子

CAS: 42182-27-4
PubChem CID: 7015524
DTXSID: DTXSID40426745
EC Number: 677-660-7
Nikkaji: J2.462.287H

物性

構造計算による物性

XLogP: 0.2
極性表面積: 62.7 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: 0
重原子数: 9
形式電荷: 0
複雑度: 134

物理化学的性質

融点: 146 · 146-148°C
沸点: 297.7 · 297.7±20.0 °C(Predicted)
比重(密度): 1.23 · 1.23±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 3.93 · 3.93±0.11(Predicted)
水溶解度: 水にわずかに溶ける。
BRN: 386393 · 386393
InChI: InChI=1S/C6H5N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,(H2,8,9)
InChIKey: GEEAYLFEIFJFGP-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C#N)=C1
CAS データベース: 42182 · 42182-27-4(CAS DataBase Reference)

化学的性質

化学的特性Yellow or pale brown cryst powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301+H311+H331 (81.6%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (97.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (84.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (81.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (81.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 6 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. 3 (97.4%)；Acute Tox. 3 (97.4%)；Skin Irrit. 2 (84.2%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (81.6%)；STOT SE 3 (81.6%)

安全データ

ridadr: 3439
hs_code: 29333990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-39
hazard_class: 6.1
packing_group: III

化学と産業

応用分野 · 2 件

説明2-Amino-4-cyanopyridine is a pharmaceutical intermediate compound with two functional groups—an amino group and a cyano group—in its molecular structure, which are the primary factors contributing to its reactivity. It can also be used as a cyanide source for the preparation of organic light-emitting materials.

使用2-Amino-4-cyanopyridine is a pyridine derivative as mGluR2 antagonists; used in the treatment of CNS disorders.