2,6-ジクロロ-4-ピリジンカルボニトリル

2,6-Dichloroisonicotinonitrile

HCID 735906CAS 32710-65-9

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1cc(Cl)nc(Cl)c1
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
分子式: C6H2Cl2N2
平均分子量: 173 g/mol
単同位体質量: 171.95950342

名称と識別子

優先名称: 2,6-Dichloroisonicotinonitrile
IUPAC: 2,6-dichloropyridine-4-carbonitrile
現地名: 2,6-ジクロロ-4-ピリジンカルボニトリル
英語名: 2,6-Dichloroisonicotinonitrile
分子式: C6H2Cl2N2
分子量: 173

名称と別名

2,6-dichloroisonicotinonitrile32710-65-9DTXSID80352877RefChem:248297DTXCID40303941672-068-52,6-dichloropyridine-4-carbonitrile4-Cyano-2,6-dichloropyridine2,6-dichloro-4-cyanopyridine4-pyridinecarbonitrile, 2,6-dichloro-2,6-dichloro-4-pyridinecarbonitrileMFCD00173784

名称をさらに表示

2,6-ジクロロ-4-ピリジンカルボニトリル2,6-ジクロロイソニコチノニトリル2,6-ジクロロピリジン-4-カルボニトリル2,6-DICHLORO-4-CYANO-PYRIDINE2,6-DICHLOROISONICOTINONNITRILE4-PYRIDINECARBONITRILE,2,6-DICHLORO2,6-Dichloroisonicotinonitrile(WX636167)2,?6-?Dichloropyridine-?4-?carbonitrile 98%2,6-Dichloroisonicotinonitrile ISO 9001：2015 REACH

UD8X86WF78Isonicotinonitrile, 2,6-dichloro-UNII-UD8X86WF78SCHEMBL9019152,6-dichloro-isonicotinonitrileBTUKLHWINORBTN-UHFFFAOYSA-NCL0023SBB055718

データベース識別子

CAS: 32710-65-9
PubChem CID: 735906
DTXSID: DTXSID80352877
UNII: UD8X86WF78
EC Number: 672-068-5
Nikkaji: J88.819B

物性

構造計算による物性

XLogP: 1.8
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: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 96 °C · 96 °C
沸点: 239.4 · 239.4±35.0 °C(Predicted)
比重(密度): 1.49 · 1.49±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -4.76 · -4.76±0.10(Predicted)
InChI: InChI=1S/C6H2Cl2N2/c7-5-1-4(3-9)2-6(8)10-5/h1-2H
InChIKey: BTUKLHWINORBTN-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C#N)=C1
CAS データベース: 32710 · 32710-65-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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. 4 (100%)

安全データ

ridadr: 3439
hs_code: 2933399990
risk_code: 20/21/22
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

応用分野 · 1 件

使用2,6-Dichloroisonicotinonitrile is a pyridine compound with diverse chemical reactivity. It is mainly used as an organic synthesis intermediate and a synthetic raw material for pesticide molecules. It can be used in the preparation of pyridine organic ligands and pesticide molecules.