4-Bromomethylbenzoic Acid 对溴甲基苯甲酸

CAS 6232-88-8 MFCD00002567

化学结构图

6232-88-8
SMILES: O=C(O)c1ccc(CBr)cc1

化学属性

Mol. FormulaC8H7BrO2
Mol. Weight215.04
Melting Point224-229 °C
Density1.422
TSCAYes
Appearance 白灰片状结晶。
Boiling Point252.95 °C at 760 mmHg

别名和识别编码

Chemical Name4-Bromomethylbenzoic Acid
CAS Number6232-88-8
Alfabeta NameCARBOXYBENZYLBROMIDE 4-
MDL NumberMFCD00002567
Synonym 4-(Bromomethyl)benzoic acid {LY} 4-(Bromomethyl)benzoic acid {} {LY} 4-(Bromomethyl)benzoic acid {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Bromomethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1862870
PubChem Substance ID87563827
EC Number228-343-3
Reaxys-RN1862870
Chemical Name Translation对溴甲基苯甲酸
InChIKeyCQQSQBRPAJSTFB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008697
Canonical SMILESBrCC1=CC=C(C(O)=O)C=C1
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 9 ,IV,1745
  • Aldrich MSDS 1 , 291:C / Corp MSDS 1 (1), 584:B / FT-IR 2 (2), 2660:D / FT-IR 1 (2), 196:B / FT-NMR 1 (2), 1078:B / IR-Spectra (2), 841:D / IR-Spectra (3), 961:A / NMR-Reference 2 (2), 190:D / RegBook 1 (2), 1789:K / Structure Index 1 , 285:E:8

安全信息

Warnings LACHRYMATOR, CORROSIVE
Precautionary statements
  • 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。
  • 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+P330+P331
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Hazard Codes Xi Xi,C
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3261 UN3261
Packing GroupIII
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 方法一:将异丙基甲苯经氧化、溴化而得。1.异丙基甲苯氧化将硝酸和对异丙基甲苯加入反应锅中,慢慢升温,至80-90℃反应4h,90-95℃反应6h。冷却,上层酸水可以套用。下层固体物用水洗后,过滤。滤饼加甲苯,加热回流半小时。趁热过滤。滤液冷至室温以下。将结晶滤出,在100℃以下干燥,得对甲基苯甲酸,熔点180-181℃。收率50%以上。对甲基苯甲酸也可以由对二甲苯氧化而得。在环烷酸钴存在下,二甲苯用空气氧化,在110-115℃反应20h,冷至室温,过滤,滤饼用二甲苯洗涤,干燥即得。此法收率40%。2.溴化将对甲基苯甲酸加入反应锅与氯苯溶解,加入溴素慢慢加热回流。反应结束时,冷至70℃,排尽溴化氢,继续冷至室温以下,过滤,滤饼用氯苯洗涤,干燥,得对溴甲基苯甲酸。收率75%以上。 用途:医药中间体。 #EndEditable "Content"
  • Alfa Aesar:4-(溴甲基)苯甲酸,97% 4-(Bromomethyl)benzoic acid, 97%(6232-88-8)
  • 对溴甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0845 4-(溴甲基)苯甲酸 4-(Bromomethyl)benzoic Acid 5G 339元 2014/06/02 B0845 4-(溴甲基)苯甲酸 4-(Bromomethyl)benzoic Acid 25G 989元 2010/06/21 170400500 对溴甲基苯甲酸 alpha-Bromo-p-toluic acid 97% 50 GR 3699元
  • Sigma Aldrich:6232-88-8(sigmaaldrich)
  • 海关编码:29163900
  • Acros Organics:alpha-溴对甲苯酸 alpha-Bromo-p-toluic acid, 97%(6232-88-8)
  • 下游产品:唑螨酯 --> 4-氨甲基苯甲酸 --> 4-溴甲基苯甲酰氯
  • Hazard Note:Irritant
  • MOL 文件:6232-88-8.mol
  • 用途一:用作有机合成原料和医药中间体等
  • F:19-21
  • 用途二:医药中间体。 #EndEditable "Content"
  • MSDS 信息:4-Bromomethylbenzoic acid(6232-88-8).msds
  • 上游原料:对二甲苯 --> 对甲基苯甲酸 --> 环烷酸钴 --> 4-异丙基甲苯
  • TCI Shanghai:4-溴甲基苯甲酸 4-(Bromomethyl)benzoic Acid,>;95.0%(GC)(T)(6232-88-8)

系列性分类


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