ピリジン-2,4-ジカルボニトリル

2,4-Pyridinedicarbonitrile

HCID 120144

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 29181-50-8
標準SMILES: N#Cc1ccnc(C#N)c1
InChIKey: HLAGQMFURMNTLW-UHFFFAOYSA-N
分子式: C7H3N3
平均分子量: 129.12 g/mol
単同位体質量: 129.03269711

名称と識別子

優先名称: 2,4-Pyridinedicarbonitrile
IUPAC: pyridine-2,4-dicarbonitrile
現地名: ピリジン-2,4-ジカルボニトリル
英語名: Pyridine-2,4-dicarbonitrile
分子式: C7H3N3
分子量: 129.12

名称と別名

Pyridine-2,4-dicarbonitrile2,4-Pyridinedicarbonitrile2,4-DicyanopyridineHJ2X384UBJEINECS 249-492-0UNII-HJ2X384UBJDTXSID8067448RefChem:82644DTXCID5037949HLAGQMFURMNTLW-UHFFFAOYSA-N29181-50-8MFCD00014627

名称をさらに表示

2,4-ピリジンジカルボニトリルピリジン-2,4-ジカルボニトリル2,4‐ジシアノピリジン2,4-ジシアノピリジンPyridin-2,4-dicarbonitril2,4-Pyridinedicarbonitrile 97%2,4-Pyridinedicarbonitrile ,97%5-(methylsulfonylmethyl)-2-oxolanone2,4-Pyridinedicarbonitrile(6CI,7CI,8CI,9CI)PYRIDINE-2,4-DICARBONITRILE ISO 9001：2015 REACH

Topiroxostat Impurity 27SCHEMBL995799SCHEMBL7170537SCHEMBL295981482,4-Pyridinedicarbonitrile, 97%SBB055735AKOS015892293AS-58697

データベース識別子

CAS: 29181-50-8
PubChem CID: 120144
DTXSID: DTXSID8067448
UNII: HJ2X384UBJ
EC Number: 249-492-0
Nikkaji: J250.789G

物性

構造計算による物性

XLogP: 0.6
極性表面積: 60.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 203

物理化学的性質

融点: 89 · 89-93 °C (lit.)
沸点: 261.8 · 261.8±20.0 °C(Predicted)
比重(密度): 1.25 · 1.25±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -3.67 · -3.67±0.10(Predicted)
外見: solid
BRN: 115936 · 115936
InChI: InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
InChIKey: HLAGQMFURMNTLW-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(C#N)=C1
CAS データベース: 29181 · 29181-50-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4-Dicyanopyridine(29181-50-8)
EPAの化学物質情報: 2 · 2,4-Pyridinedicarbonitrile (29181-50-8)

化学的性質

化学的特性Gray solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 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 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (90.7%)；Eye Dam. 1 (90.7%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29333990
risk_code: 22-37/38-41-43
hazard_code: Xn
safety_code: 26-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2,4-Pyridinedicarbonitrile: INACTIVE

上流・下流製品情報

上流原料

4-シアノピリジンオキシドール酢酸シアン化カリウムジメチル硫酸

サプライヤー87 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

化合物ノート

読み込み中…