基本情報
- CAS
62595-74-8- 標準SMILES
O=C1CCC(Br)C(=O)N1- InChIKey
RYSICGXZRVMXDP-UHFFFAOYSA-N- 分子式
- C5H6BrNO2
- 平均分子量
- 192.01 g/mol
- 単同位体質量
- 190.95819
名称と識別子
- 優先名称
- 3-Bromopiperidine-2,6-dione
- IUPAC
- 3-bromopiperidine-2,6-dione
- 英語名
- 3-broMopiperidine-2,6-dione
- 分子式
- C5H6BrNO2
- 分子量
- 192.01
名称と別名
3-Bromopiperidine-2,6-dione62595-74-8DTXSID90502942RefChem:499370DTXCID80453752613-059-8MFCD11053059bromoglutarimide3-bromopiperidin-2,6-dioneSCHEMBL3578552AKOS006306611SB41327
名称をさらに表示
3-Bromo-2,6-piperidinedione3-BR0M0PIPERIDINE-2, 6-DIONE78. 3-Bromopiperidine-2,6-dione3-Bromopiperidine-2,6-dione 95%
AS-59000SY1165152,6-Piperidinedione, 3-bromo-CS-0091177EN300-120920AMY27374FT-0733206A868429
データベース識別子
- CAS
62595-74-8- PubChem CID
- 12570775
- DTXSID
DTXSID90502942- EC Number
- 613-059-8
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 46.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 157
物理化学的性質
- 融点
- 107 °C · 107 °C(Solv: chloroform (67-66-3))
- 沸点
- 336.4 · 336.4±35.0 °C(Predicted)
- 比重(密度)
- 1.748 · 1.748±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 10.08 · 10.08±0.40(Predicted)
- InChI
- InChI=1S/C5H6BrNO2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2H2,(H,7,8,9)
- InChIKey
- RYSICGXZRVMXDP-UHFFFAOYSA-N
- SMILES
- N1C(=O)CCC(Br)C1=O
安全と法規制
GHS分類
GHS Classification
Warning
H302 (66.7%): 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 3 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 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2933399990
化学と産業
サプライヤー100 社
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杭州品高化工有限公司0571-87658025 · [email protected]
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成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
関連反応
2 件
化合物ノート
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