基本情報
- CAS
889858-12-2- 標準SMILES
CC(C)(C)OC(=O)c1ccc(Br)cc1F- InChIKey
ZPGZHSAOCVWZMR-UHFFFAOYSA-N- 分子式
- C11H12BrFO2
- 平均分子量
- 275.11 g/mol
- 単同位体質量
- 274.00047
名称と識別子
- 優先名称
- tert-Butyl 4-bromo-2-fluorobenzoate
- IUPAC
- tert-butyl 4-bromo-2-fluorobenzoate
- 英語名
- tert-Butyl 2-bromo-4-fluorobenzoate
- 分子式
- C11H12BrFO2
- 分子量
- 275.11
名称と別名
TERT-BUTYL 4-BROMO-2-FLUOROBENZOATE889858-12-2DTXSID80674425RefChem:188192DTXCID80625174810-257-8MFCD08703426tert-butyl 4-bromo-2-fluoro-benzoatetert-Butyl4-bromo-2-fluorobenzoate4-Bromo-2-fluoro-benzoic acid tert-butyl esterSCHEMBL6433182-methylpropan-2-yl 4-bromo-2-fluorobenzoate
名称をさらに表示
tert-Butyl 2-fluoro-4-bromobenzoatetera-butyl 4-Bromo-2-fluorobenzoatetert-Butyl 2-bromo-4-fluorobenzoateBenzoic acid,4-bromo-2-fluoro-, 1,1-dimethylethyl ester
EC 810-257-82-Methylpropan-2-yl 4-bromo-2-fluorobenzoate; 4-Bromo-2-fluoro-benzoic Acid 1,1-Dimethylethyl EsterZPGZHSAOCVWZMR-UHFFFAOYSA-NAKOS013211450CS-W008639DS-3349AC-30114FB106105
データベース識別子
- CAS
889858-12-2- PubChem CID
- 46738774
- DTXSID
DTXSID80674425- EC Number
- 810-257-8
- Nikkaji
- J2.566.944D
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 26.3 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 237
物理化学的性質
- 沸点
- 305.7 · 305.7±27.0 °C(Predicted)
- 比重(密度)
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 外見
- Oil
- 色
- Clear Colourless
安全と法規制
GHS分類
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Regulatory InformationStatus: Active Update: 23-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16300
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
法規制情報
Regulatory InformationStatus: Active Update: 23-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16300
安全データ
- hs_code
- 2916399090
化学と産業
上流・下流製品情報
上流原料
サプライヤー100 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
韶远科技（上海）有限公司
関連反応
13 件
化合物ノート
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