3-Fluorobenzoic Acid 间氟苯甲酸

CAS 455-38-9 MFCD00002489

化学结构图

455-38-9
SMILES: O=C(O)c1cccc(F)c1

化学属性

Mol. FormulaC7H5FO2
Mol. Weight140.11
Melting Point122-124°C
TSCAT
Density1.319
Solubility微溶于水。
Boiling Point226.1 °C at 760 mmHg

别名和识别编码

Chemical Name3-Fluorobenzoic Acid
CAS Number455-38-9
Alfabeta NameFLUOROBENZOICACID 3-
MDL NumberMFCD00002489
Synonym 3-Fluorobenzoic acid {LY} 3-Fluorobenzoic acid {} {LY} 3-Fluorobenzoic acid {} {} {LY} 3-Fluorobenzoic acid {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzoic acid
EC Number207-248-0
Beilstein Registry Number1906920
PubChem Substance ID9968
Reaxys-RN1906920
Chemical Name Translation间氟苯甲酸
InChIKeyMXNBDFWNYRNIBH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117321
InChIInChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILESC1=C(C=CC=C1F)C(O)=O
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分类

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

产品应用

  • 医药、农药、液晶材料中间体。

相关文献及参考

  • Lithiation of the unprotected acid, with 2.2 moles of s-BuLi in the presence of TMEDA, occurs at the 2-position; subsequent reaction with hexachloroethane or dibromotetrachloroethane provides access to 2-chloro-3-fluoro- and 2-bromo-3-fluorobenzoic acid respectively: Tetrahedron Lett., 36, 881 (1995); Bull. Soc. Chim. Fr., 133, 133 (1996).
  • Short: III/35D2
  • Short: IV/20A
  • Beilstein:9(4)952

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany1
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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • 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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
  • R37/38 Irritating to respiratory system and skin 对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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • 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
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29163900
  • TCI Shanghai:3-氟苯甲酸 3-Fluorobenzoic Acid,>;98.0%(T)(455-38-9)
  • 用途二:医药、农药、液晶材料中间体。
  • 检测方法:GC
  • TSCA:T
  • Sigma Aldrich:455-38-9(sigmaaldrich)
  • 下游产品:3-氟苯甲酰乙腈
  • 间氟苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0158 3-氟苯甲酸 3-Fluorobenzoic Acid 250G 2520元 2014/06/02 F0158 3-氟苯甲酸 3-Fluorobenzoic Acid 25G 486元 2010/06/21 119371000 间氟苯甲酸 3-Fluorobenzoic acid 99% 100 GR 1577元
  • 外观性质:叶状结晶或白色粉末。
  • Hazard Note:Irritant
  • Acros Organics:3-氟苯甲酸 3-Fluorobenzoic acid, 99%(455-38-9)
  • 用途一:用作有机合成中间体
  • 图谱信息:间氟苯甲酸(455-38-9)质谱(MS) 间氟苯甲酸(455-38-9)核磁图( 13 CNMR) 间氟苯甲酸(455-38-9)红外图谱(IR1) 间氟苯甲酸(455-38-9)红外图谱(IR2)
  • MSDS 信息:3-氟苯甲酸(455-38-9).msds
  • 溶于水和吡啶。
  • Alfa Aesar:3-氟苯甲酸,99% 3-Fluorobenzoic acid, 99%(455-38-9)
  • MOL 文件:455-38-9.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Other Fluorinated Organic Building Blocks - Organic Fluorinated Building Blocks
  6. Aryl Fluorinated Building Blocks 芳基氟化物
  7. C7 - Aryl Fluorinated Building Blocks
  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. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  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

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