4-Bromobenzoic acid 4-溴苯甲酸

CAS 586-76-5 MFCD00002529

化学结构图

586-76-5
SMILES: O=C(O)c1ccc(Br)cc1

化学属性

Mol. FormulaC7H5BrO2
Mol. Weight201.02
Density1.89
Melting Point252-254°C
TSCAYes
Solubility可溶于乙醚、乙醇、丙酮与热水。
Stability对湿度敏感
Appearance 白色或浅粉红色结晶。熔点254.5℃，相对密度1.894（20/4℃）。溶于醇和醚，微溶于水。
Boiling Point299.8°C at 760 mmHg

别名和识别编码

Chemical Name4-Bromobenzoic Acid
CAS Number586-76-5
Alfabeta NameBROMOBENZOICACID 4-
MDL NumberMFCD00002529
Synonym 4-Bromobenzoic acid {LY} 4-Bromobenzoic acid {} {LY} 4-Bromobenzoic acid {} {} {LY} 4-Bromobenzoic acid {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {}
EC Number209-581-7
Beilstein Registry Number1906923
PubChem Substance ID11464
Merck Number1408
Chemical Name Translation4-溴苯甲酸
Reaxys-RN1906923
Wiswesser Line NotationQVR DE
LabNetwork Molecule IDLN00173898
InChIInChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESBrC1=CC=C(C(O)=O)C=C1
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

产品应用

  • 有机合成中间体。测定锶。有机微量分析测定碳、氢和溴的标准品。

相关文献及参考

  • Short: II/27B
  • Merck:14,1408 Beilstein:9,351
  • Short: II/27C
  • Merck:14,1408

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
RTECSDG4448050
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 536 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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1059 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

  • 用途一:用作分析试剂，也用于有机合成
  • 可燃性危险特性:热分解排出有毒溴化物烟雾
  • 毒性分级:中毒
  • Alfa Aesar:4-溴苯甲酸,99% 4-Bromobenzoic acid, 99%(586-76-5)
  • 图谱信息:4-溴苯甲酸(586-76-5)质谱(MS) 4-溴苯甲酸(586-76-5)Raman光谱 4-溴苯甲酸(586-76-5)红外图谱(IR1) 4-溴苯甲酸(586-76-5)核磁图( 13 CNMR) 4-溴苯甲酸(586-76-5)核磁图( 1 HNMR) 4-溴苯甲酸(586-76-5)红外图谱(IR2)
  • Hazard Note:Irritant
  • TCI Shanghai:4-溴苯甲酸 4-Bromobenzoic Acid,>;98.0%(GC)(T)(586-76-5)
  • 储运特性:库房通风干燥低温
  • 用途二:有机合成中间体。
  • 灭火剂:水,沙土,泡沫,二氧化碳,干粉
  • 上游原料:氧 --> 对溴甲苯
  • MOL 文件:586-76-5.mol
  • 溶于乙醇和乙醚，微溶于热水。对眼睛、呼吸系统和皮肤有刺激性。
  • 海关编码:29163900
  • 4-溴苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010237 对溴苯甲酸 100g 250元 2011/04/16 B0553 4-溴苯甲酸 4-Bromobenzoic Acid 25G 280元 2011/04/16 B0553 4-溴苯甲酸 4-Bromobenzoic Acid 500G 3200元
  • Sigma Aldrich:586-76-5(sigmaaldrich)
  • 类别:有毒物质
  • 检测方法:T,NMR
  • Acros Organics:4-溴苯甲酸 4-Bromobenzoic acid, 97%(586-76-5)
  • MSDS 信息:4-Bromobenzoic acid(586-76-5).msds
  • 急性毒性:口服-小鼠 LD50: 1059 毫克/公斤; 腹腔-小鼠 LD50: 536 毫克/公斤
  • 方法一:对溴甲苯经氧化、酸化而得。将对溴甲苯、水、氢氧化钾混合后，加热煮沸，分次加入高锰酸钾，再回流4h，经过滤酸化得粗品。再于稀乙醇中用氨水溶解、过滤，盐酸中和、水洗即得成品。
  • 下游产品:4-(3-叔丁基-1,2,4-噁二唑-5-基)苯硼酸 --> 4-乙酰基苯甲酸甲酯 --> 3-叔丁基-5-(4-溴苄基)-1,2,4-恶二唑 --> 4-溴-3-硝基苯甲酸甲酯 --> 4-羧基苯硼酸频那醇酯
  • 用途三:有机合成中间体。测定锶。有机微量分析测定碳、氢和溴的标准品。

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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  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 acids
  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. Carboxylic Acids
  6. C6
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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