基本情報
- CAS
56617-43-7- 標準SMILES
O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1- InChIKey
JYYMPQMWOVXMDK-UHFFFAOYSA-N- 分子式
- C11H10FNO3
- 平均分子量
- 223.2 g/mol
- 単同位体質量
- 223.06447134
名称と識別子
- 優先名称
- 1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- 現地名
- 1-(4-フルオロフェニル)-5-オキソピロリジン-3-カルボン酸
- 英語名
- 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
- 分子式
- C11H10FNO3
- 分子量
- 223.2
名称と別名
1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acidRefChem:425593675-231-956617-43-71-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acidMFCD015693111-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acidF0919-1630MLS0000627433-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo-4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone
名称をさらに表示
1-(4-フルオロフェニル)-5-オキソピロリジン-3-カルボン酸AKOS BB-6997BUTTPARK 21\07-89ZERENEX E/5111237TIMTEC-BB SBB011502IFLAB-BB F0919-16304-Carboxy-1-(4-fluorophenyl)pyrrolidin-2-one1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylicaci1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid
Oprea1_485102Oprea1_585069SCHEMBL2221436CHEMBL1345646JYYMPQMWOVXMDK-UHFFFAOYSA-NHMS2369J14SMSSF-0062559ALBB-000142
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 57.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 300
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
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 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): 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 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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
Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2916399090
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
化学と産業
上流・下流製品情報
上流原料
下流製品
サプライヤー16 社
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
関連反応
9 件
化合物ノート
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