2-シアノ-3,5-ジフルオロピリジン

2-Cyano-3,5-difluoropyridine

HCID 2783253

ノート反応

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基本情報

CAS: 298709-29-2
標準SMILES: N#Cc1ncc(F)cc1F
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
分子式: C6H2F2N2
平均分子量: 140.09 g/mol
単同位体質量: 140.0186045

名称と識別子

優先名称: 2-Cyano-3,5-difluoropyridine
IUPAC: 3,5-difluoropyridine-2-carbonitrile
現地名: 2-シアノ-3,5-ジフルオロピリジン
英語名: 2-Cyano-3,5-difluoropyridine
分子式: C6H2F2N2
分子量: 140.09

名称と別名

2-Cyano-3,5-difluoropyridine298709-29-2DTXSID80382538RefChem:259613DTXCID60333563678-766-63,5-difluoropicolinonitrile3,5-difluoropyridine-2-carbonitrile3,5-Difluoro-2-cyanopyridineMFCD037887593,5-difluoro-2-pyridincarbonitrile3,5-Difluoro-pyridine-2-carbonitrile

名称をさらに表示

2-シアノ-3,5-ジフルオロピリジン3,5-ジフルオロピコリノニトリル3,5-ジフルオロピリジン-2-カルボニトリル2-シアノ-3,5-ジフルオロピリジン, 98%2-cyano-difluoropyridine3,5-Difluoropicolinitrile2-Cyano-3,5-difluorophenol3,5-DIFLURO-2-CYANOPYRIDINE3,5-difluoronicotinonitrile2-Cyano-3,5-difluorpyridine2-Cyano-3,5-difluoropyridine >

AKOS005063486SY012024C2753EN300-84245BCP22078SCHEMBL186339orb29403333,5-difluoro-2-cyano pyridine

データベース識別子

CAS: 298709-29-2
PubChem CID: 2783253
DTXSID: DTXSID80382538
EC Number: 678-766-6

物性

構造計算による物性

XLogP: 1.1
極性表面積: 36.7 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 32 · 32-34°C
沸点: 187.8 · 187.8±35.0 °C(Predicted)
比重(密度): 1.36 · 1.36±0.1 g/cm3(Predicted)
闪点: 90 ℃ · 90℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -5.16 · -5.16±0.20(Predicted)
色: White to Orange to Green
InChI: InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(F)C=C1F
CAS データベース: 298709 · 298709-29-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (82.6%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 2933399990
risk_code: 20/21/22-36/38-41-37/38-22
hazard_code: Xi,Xn
hazard_note: Harmful/Irritant
safety_code: 26-36/37/39-39
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明2-Cyano-3,5-difluoropyridine is a difluorinated cyanopyridine compound exhibiting high electron-withdrawing properties. Consequently, its fluorine substituents readily undergo nucleophilic aromatic substitution reactions. This characteristic renders the compound extensively utilised in pharmaceutical synthesis, electronic materials, and organic synthesis applications.

使用2-Cyano-3,5-difluoropyridine is a versatile reactant used in the preparation of potent and selective inhibitors of DPP-4 that exhibit an attractive pharmacokinetic profile as antidiabetics.