4-Bromobenzaldehyde 4-溴苯甲醛

CAS 1122-91-4 MFCD00003377

化学结构图

1122-91-4
SMILES: O=Cc1ccc(Br)cc1

化学属性

Mol. FormulaC7H5BrO
Mol. Weight185.02
Flash Point109°C
TSCAYes
Boiling Point66-68 °C at 2 mmHg
Melting Point55-58°C
Density1.577
Stability对光敏感
Appearance 无色或微黄色叶状结晶。熔点67℃，沸点66-68℃（0.27kPa）。易溶于乙醇和苯，不溶于水。
SolubilityINSOLUBLE

别名和识别编码

Chemical Name4-Bromobenzaldehyde
MDL NumberMFCD00003377
CAS Number1122-91-4
Beilstein Registry Number507100
Reaxys-RN507100
PubChem Substance ID70741
EC Number214-365-0
Synonym 4-Bromobenzaldehyde {LY} 4-Bromobenzaldehyde {} {LY} 4-Bromobenzaldehyde {} {} {LY} 4-Bromobenzaldehyde {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-溴苯甲醛
Wiswesser Line NotationVHR DE
LabNetwork Molecule IDLN00196628
InChIInChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
Canonical SMILESBrC1=CC=C(C=O)C=C1
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分类

  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 医药和染料的中间体.

相关文献及参考

  • Beilstein:7,239

安全信息

RTECSCU4810000
Signal word Danger
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Precautionary statements
  • 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。
  • 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+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P333+P313
  • P337+P313
  • P342+P311
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • 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；
Risk Statements
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sto
WGK Germany2
GHS Symbol
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 389 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

其他信息

  • 图谱信息:4-溴苯甲醛(1122-91-4)红外图谱(IR2) 4-溴苯甲醛(1122-91-4)质谱(MS) 4-溴苯甲醛(1122-91-4)核磁图( 13 CNMR) 4-溴苯甲醛(1122-91-4)红外图谱(IR3) 4-溴苯甲醛(1122-91-4)红外图谱(IR1)
  • 检测方法:GC
  • 用途二:医药和染料的中间体。
  • 下游产品:1-(4-吗啉基丁基)肼 --> 1-(4-(吡咯烷-1-基)丁基)肼 --> 6-溴异喹啉 --> 1-(3-(吡咯烷-1-基)丙基)肼 --> 6-溴吲哚-2-甲醛 --> 6-溴吲哚-2-羧酸 --> 6-溴吲哚-2-羧酸乙酯 --> 2-肼吡啶 --> 4-己-1-炔基苯甲醛 --> 4-甲酰基苯硼酸 --> 4-羟甲基苯硼酸 --> 6-甲基-2-肼基嘧啶-4-醇 --> 对溴苄胺 --> 4-溴苄醇
  • MOL 文件:1122-91-4.mol
  • 储运特性:库房通风低温干燥
  • 存储注意事项:湿度敏感;氮气保护;光敏感
  • 毒性分级:中毒
  • TCI Shanghai:4-溴苯甲醛 4-Bromobenzaldehyde,>;95.0%(GC)(1122-91-4)
  • 可燃性危险特性:热分解排出有毒溴化物蒸汽
  • Acros Organics:对溴苯甲醛 4-Bromobenzaldehyde, 99%(1122-91-4)
  • 灭火剂:水, 沙土, 二氧化碳, 干粉, 泡沫
  • 敏感性:Air Sensitive
  • 类别:有毒物质
  • 用途三:医药和染料的中间体.
  • 方法一:由对溴甲苯经下列反应制得：在光照条件下，将溴从液面下滴加至105℃的对溴甲苯中，滴加前期的温度为105-110℃。后期的温度为135℃。加完后温度慢慢升至150℃，然后加入碳酸钙粉末和水搅匀，加热回流15min进行水解。再进行水蒸气蒸馏，将馏出液冷却，滤出对溴苯甲醛结晶。
  • 4-溴苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010235 对溴苯甲醛 50g 165元 2011/04/16 B0549 4-溴苯甲醛 4-Bromobenzaldehyde 25G 378元 2011/04/16 B0549 4-溴苯甲醛 4-Bromobenzaldehyde 250G 1890元
  • MSDS 信息:4-Bromobenzaldehyde(1122-91-4).msds
  • 易溶于乙醇和苯，不溶于水。有刺激性。
  • 上游原料:碳酸钙 --> 对溴甲苯
  • 急性毒性:口服-小鼠 LD50: 1230 毫克/公斤; 腹腔-小鼠 LD50: 389 毫克/公斤
  • Sigma Aldrich:1122-91-4(sigmaaldrich)
  • 海关编码:29130000
  • Alfa Aesar:4-溴苯甲醛,99% 4-Bromobenzaldehyde, 99%(1122-91-4)
  • 用途一:用于有机合成、医药中间体等
  • Hazard Note:Irritant/Harmful/Air Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C7 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C10 to C21
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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