基本情報
- CAS
18368-59-7- 標準SMILES
Cc1cc[nH]c(=O)c1Br- InChIKey
DDRFLSCTQJTMAA-UHFFFAOYSA-N- 分子式
- C6H6BrNO
- 平均分子量
- 188.02 g/mol
- 単同位体質量
- 186.96328
名称と識別子
- 優先名称
- 3-Bromo-4-methylpyridin-2-ol
- IUPAC
- 3-bromo-4-methyl-1H-pyridin-2-one
- 現地名
- 3-ブロモ-4-メチル-2-(1H)-ピリジノン
- 英語名
- 2-Hydroxy-3-bromo-4-methylpyridine
- 分子式
- C6H6BrNO
- 分子量
- 188.02
名称と別名
3-bromo-4-methylpyridin-2-olRefChem:498707869-629-318368-59-72-HYDROXY-3-BROMO-4-METHYLPYRIDINE3-Bromo-4-methylpyridin-2(1H)-one3-Bromo-4-methyl-2-(1H)-pyridinone3-Bromo-2-hydroxy-4-methylpyridine3-BROMO-4-METHYL-1H-PYRIDIN-2-ONE3-Bromo-2-hydroxy-4-picolineMFCD098397083-BROMO-4-METHYL-1,2-DIHYDROPYRIDIN-2-ONE
名称をさらに表示
3-ブロモ-4-メチル-2-(1H)-ピリジノン2-HYDROXY-3-BROMO-4-PICOLINE3-BROMO-4-METHYL-2(1H)-PYRIDINONE
MFCD021810712(1H)-Pyridinone, 3-bromo-4-methyl-2(1H)-Pyridin3-bromo-4-methyl-2-pyridoneSCHEMBL1262367SCHEMBL146626323-Bromo-4-methyl-pyridin-2-olDTXSID50541473
データベース識別子
- CAS
18368-59-7- PubChem CID
- 13463813
- DTXSID
DTXSID50541473- EC Number
- 869-629-3
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 29.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 205
物理化学的性質
- 沸点
- 323.2 · 323.2±42.0 °C(Predicted)
- 比重(密度)
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 10.56 · 10.56±0.10(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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2933399990
- risk_code
- 22
- hazard_code
- Xn
化学と産業
サプライヤー59 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
関連反応
4 件
化合物ノート
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