3,5-Difluorobromobenzene 1-溴-3,5-二氟苯
CAS 461-96-1 MFCD00010305
化学结构图
SMILES: Fc1cc(F)cc(Br)c1
化学属性
| Mol. Formula | C6H3BrF2 |
|---|---|
| Mol. Weight | 192.99 |
| Boiling Point | 140°C at 760 mmHg |
| Density | 1.676 |
| Refractive index | 1.4980 to 1.5010 |
| Flash Point | 44°C |
| TSCA | No |
| Melting Point | -27°C |
| Solubility | 0.238 G/L (20 ºC) |
| Appearance | 无色至微黄色液体，沸点140℃，闪点45℃，比重1.686。 |
别名和识别编码
| Chemical Name | 3,5-Difluorobromobenzene |
|---|---|
| CAS Number | 461-96-1 |
| Alfabeta Name | BROMODIFLUOROBENZENE 135---, |
| MDL Number | MFCD00010305 |
| EC Number | 416-710-2 |
| Beilstein Registry Number | 1931520 |
| PubChem Substance ID | 136313 |
| Synonym | 1-Bromo-3,5-difluorobenzene {LY} 1-Bromo-3,5-difluorobenzene {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3,5-difluorobenzene {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 1-溴-3,5-二氟苯 |
| Reaxys-RN | 1931520 |
| InChIKey | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00116745 |
| Canonical SMILES | BrC1=CC(F)=CC(F)=C1 |
| InChI | InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H |
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分类
- {SNA} Aryl, Aryl Fluorinated Building Blocks, Building Blocks, C6, Chemical Synthesis, Fluorinated Building Blocks, Halogenated Hydrocarbons, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
相关文献及参考
- Lithiation with lithium 2,2,6,6-tetramethylpiperidide (LTMP) at -75o occurs at the 4-position, affording 4-bromo-2,6-difluorobenzoic acid in 84% yield after carboxylation: Tetrahedron Lett., 37, 6551 (1996).
安全信息
GHS Symbol
- S24 Avoid contact with skin 避免皮肤接触；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- R10 Flammable 易燃
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R38 Irritating to skin 刺激皮肤
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- R48/22
- R50/53
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P233 Keep container tightly closed. ?保持容器密闭。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P241+P242+P243
- P242 Use only non-sparking tools. 只能使用无火花工具。
- P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
- P273 Avoid release to the environment. 避免释放到环境中。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P312
- P301+P312+P330
- P302+P352
- P302+P352+P333+P313+P362+P364
- P303+P361+P353
- P305+P351+P338
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P332+P313
- P333+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P370+P378
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P403+P235
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H226 Flammable liquid and vapour 易燃液体和蒸气
- H302 Harmful if swallowed 吞食有害
- H315 Causes skin irritation 会刺激皮肤
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
其他信息
- 上游原料:盐酸 --> 溴
- 图谱信息:1-溴-3,5-二氟苯(461-96-1)核磁图( 13 CNMR) 1-溴-3,5-二氟苯(461-96-1)核磁图( 1 HNMR) 1-溴-3,5-二氟苯(461-96-1)质谱(MS) 1-溴-3,5-二氟苯(461-96-1)红外图谱(IR1)
- Hazard Note:Flammable
- 下游产品:2,6-二氟-4-羟基苯腈
- 1-溴-3,5-二氟苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1764 1-溴-3,5-二氟苯 1-Bromo-3,5-difluorobenzene 250G 5640元 2014/06/02 B1764 1-溴-3,5-二氟苯 1-Bromo-3,5-difluorobenzene 25G 1160元 2010/06/21 249390500 1-溴-3,5-二氟苯 1-Bromo-3,5-difluorobenzene 99% 50 ML 3066元
- MOL 文件:461-96-1.mol
- Sigma Aldrich:461-96-1(sigmaaldrich)
- Acros Organics:1-溴-3.5-二氟苯 1-Bromo-3,5-difluorobenzene, 99%(461-96-1)
- 用途一:用作医药或液晶材料中间体
- TCI Shanghai:1-溴-3,5-二氟苯 1-Bromo-3,5-difluorobenzene,>;98.0%(GC)(461-96-1)
- Alfa Aesar:1-溴-3,5-二氟苯,98% 1-Bromo-3,5-difluorobenzene, 98%(461-96-1)
- 用途二:医药、农药、液晶材料中间体。
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