基本信息
- 标准SMILES
O=Cc1ccc(-c2cccc(Br)c2)o1- InChIKey
NUOIWDFBKGEKJD-UHFFFAOYSA-N- 分子式
- C11H7BrO2
- 平均分子量
- 251.08 g/mol
- 单同位素质量
- 249.96294156
名称与标识
- 首选名称
- 5-(3-Bromophenyl)-2-furaldehyde
- IUPAC
- 5-(3-bromophenyl)furan-2-carbaldehyde
- 中文名
- 5-(3-溴苯基)呋喃-2-甲醛
- 英文名
- 5-(3-bromophenyl)furan-2-carbaldehyde
- 分子式
- C11H7BrO2
- 分子量
- 251.08
名称与别名
39868-10-55-(3-bromophenyl)-2-furaldehydeDTXSID50357031RefChem:299651DTXCID20308090893-823-75-(3-bromophenyl)furan-2-carbaldehydeMFCD005818455-(3-Bromo-phenyl)-furan-2-carbaldehyde2-Furancarboxaldehyde,5-(3-bromophenyl)-SCHEMBL14324626NUOIWDFBKGEKJD-UHFFFAOYSA-N
展开更多名称
5-(3-溴苯基)-2-呋喃醛5-(3-溴苯基)呋喃-2-甲醛5-(3-bromophenyl)-2-Furancarboxaldehyde2-Furancarboxaldehyde, 5-(3-bromophenyl)-
BBL025759STK078773AKOS000289137SB61146UPCMLD0ENAT5416339:001SY152038VS-08084DB-069886
数据库标识
- CAS
39868-10-5- PubChem CID
- 840517
- DTXSID
DTXSID50357031- EC Number
- 893-823-7
性质
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 30.2 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 207
安全与法规
GHS分类
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
危害信息
Hazard Classes and CategoriesAcute Tox. 4 (50%)
化学与工业
供应商2 家
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
相关反应
2 条
关联笔记
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