基本情報
- CAS
669066-35-7- 標準SMILES
N#Cc1nccc(I)c1F- InChIKey
CLBCNDXLHUIEBW-UHFFFAOYSA-N- 分子式
- C6H2FIN2
- 平均分子量
- 248 g/mol
- 単同位体質量
- 247.92467
名称と識別子
- 優先名称
- 3-Fluoro-4-iodopyridine-2-carbonitrile
- IUPAC
- 3-fluoro-4-iodopyridine-2-carbonitrile
- 英語名
- 3-Fluoro-4-iodopyridine-2-carbonitrile
- 分子式
- C6H2FIN2
- 分子量
- 248
名称と別名
669066-35-73-fluoro-4-iodopyridine-2-carbonitrileDTXSID20610569RefChem:279424DTXCID60561324845-939-43-FLUORO-4-IODOPICOLINONITRILEMFCD186330963-fluoro-4-iodo-pyridine-2-carbonitrile3-fluoro-4-iodo-2-pyridinecarbonitrile2-Pyridinecarbonitrile, 3-fluoro-4-iodo-SCHEMBL2596919
名称をさらに表示
CLBCNDXLHUIEBW-UHFFFAOYSA-N3-fluoro4-iodopyridine-2-carbonitrileAKOS016016023CS-W0039583-Fluoro-4-Iodopyridine-2-CyanopyridineDS-10416SY116054DB-228609
データベース識別子
- CAS
669066-35-7- PubChem CID
- 21075867
- DTXSID
DTXSID20610569- EC Number
- 845-939-4
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 36.7 Ų
- 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
- 164
物理化学的性質
- 沸点
- 282 ℃ · 282℃
- 比重(密度)
- 2.11 · 2.11
- 闪点
- 124 ℃ · 124℃
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 酸解離定数(Pka)
- -4.13 · -4.13±0.18(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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 4 reports by companies from 4 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
Regulatory InformationStatus: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33118
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (75%)
法規制情報
Regulatory InformationStatus: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33118
化学と産業
応用分野
使用3-Fluoro-4-iodopicolinonitrile is used in preparation of benzofuranyl oral complement factor D inhibitors.
上流・下流製品情報
上流原料
サプライヤー48 社
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
関連反応
13 件
化合物ノート
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