4-Phenylbutyric Acid 4-苯基丁酸

CAS 1821-12-1 MFCD00004403

化学结构图

1821-12-1
SMILES: O=C(O)CCCC1CCCCC1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Boiling Point290.7°C at 760 mmHg
Melting Point49-53°C
Flash Point187.9°C
TSCAYes
Density1.422
Solubility5.3 g/L at 40 °C

别名和识别编码

Chemical Name4-Phenylbutyric Acid
Beilstein Registry Number638180
PubChem Substance ID4775
CAS Number1821-12-1
EC Number217-341-8
MDL NumberMFCD00004403
Reaxys-RN638180
Synonym 4-Phenylbutyric acid {LY} 4-Phenylbutyric acid {} {LY} 4-Phenylbutyric acid {} {} {LY} 4-Phenylbutyric acid {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Phenylbutyric acid {} {} {} {} {} {} {} {}
Chemical Name Translation4-苯基丁酸
LabNetwork Molecule IDLN00196776
InChIInChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
Canonical SMILESO=C(O)CCCC1=CC=CC=C1
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分类

  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Cell Signaling and Neuroscience, Chemical Activators and Inhibitors of ER Stress, Chemical ER Chaperones, Chemical Synthesis, Endoplasmic Reticulum Stress, Organic Building Blocks, 细胞生物学
  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Cell Biology, Cell Signaling and Neuroscience, Chemical Activators and Inhibitors of ER Stre
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Cell Biology, Cell Signaling and Neuroscience, Chemical Activators and Inhibitors of ER Stress,

相关文献及参考

  • Beil. 9 ,IV,1811
  • FT-IR 1 (2), 141:A / FT-IR 2 (2), 2579:B / FT-NMR 1 (2), 988:B / IR-Spectra (2), 815:H / IR-Spectra (3), 932:A / NMR-Reference 2 (2), 137:D / RegBook 1 (2), 1743:J / Structure Index 1 , 278:D:5 / Vapor Phase 3 , 1317:D

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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
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。
  • 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。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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；
  • S36/37/39 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 Wear suitable gloves 戴适当手套；
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
GHS Symbol
Hazard Codes Xi
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

  • TCI Shanghai:4-苯丁酸 4-Phenylbutyric Acid,>;98.0%(GC)(1821-12-1)
  • 海关编码:29163900
  • 外观:白色固体
  • Sigma Aldrich:1821-12-1(sigmaaldrich)
  • 苯丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0643 4-苯丁酸 4-Phenylbutyric Acid 250G 3480元 2014/06/02 P0643 4-苯丁酸 4-Phenylbutyric Acid 25G 560元 2010/06/21 130380250 苯丁酸 4-Phenylbutyric acid 99% 25 GR 483元
  • 用途二:是重要的药物合成中间体。
  • MOL 文件:1821-12-1.mol
  • 图谱信息:苯丁酸(1821-12-1)核磁图( 13 CNMR) 苯丁酸(1821-12-1)核磁图( 1 HNMR) 苯丁酸(1821-12-1)Raman光谱 苯丁酸(1821-12-1)红外图谱(IR2) 苯丁酸(1821-12-1)质谱(MS) 苯丁酸(1821-12-1)红外图谱(IR1)
  • 用途一:用于合成染料
  • 下游产品:咪达普利 --> 1-四氢萘酮 --> 3-(4-磺酰氯)苯丙酸甲酯 --> 苯丁酸氮芥 --> 4-苯丁酸乙酯 --> 4-苯丁酸甲酯
  • MSDS 信息:4-Phenylbutanoic acid(1821-12-1).msds
  • Alfa Aesar:4-苯丁酸,99% 4-Phenylbutyric acid, 99%(1821-12-1)
  • Hazard Note:Irritant
  • 光引发剂:光引发剂（photo initiator），又成光敏剂或光固化剂，是一类能吸收一定波长的能量释放出自由基而引发光聚合的化合物。常见的种类有：1安息香及醚类2二苯甲酮类3苯偶酰类4苯乙酮类5硫杂蒽酮类。
  • Acros Organics:4-苯基丁酸 4-Phenylbutyric acid, 99%(1821-12-1)
  • 上游原料:氢氧化钠 --> 盐酸 --> 甲醇 --> 丙酮 --> 苯 --> 三氯化铝 --> 四氯化碳 --> 活性炭 --> gamma-丁内酯
  • 苯丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P0643 4-苯丁酸 4-Phenylbutyric Acid 250G 3670元 2011/04/16 P0643 4-苯丁酸 4-Phenylbutyric Acid 25G 592元 2010/06/21 130380250 苯丁酸 4-Phenylbutyric acid 99% 25 GR 483元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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
  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. C10 - 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. C1 to C5

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