3-Isochromanone 3-异色酮

CAS 4385-35-7 MFCD00043005

化学结构图

4385-35-7
SMILES: O=C1Cc2ccccc2CO1

化学属性

Mol. FormulaC9H8O2
Mol. Weight148.16
Melting Point80-82°C
Boiling Point332.6°C at 760 mmHg

别名和识别编码

Chemical Name3-Isochromanone
MDL NumberMFCD00043005
CAS Number4385-35-7
PubChem Substance ID87571891
Beilstein Registry Number17(3/4)4964
EC Number224-493-9
Synonym 3-Isochromanone {LY} 3-Isochromanone {} {LY} 3-Isochromanone {} {} {LY} 3-Isochromanone {} {} {} {LY} 3-Isochromanone {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Isochromanone {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN123692
Chemical Name Translation3-异色酮
InChIKeyILHLUZUMRJQEAH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00004586
InChIInChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
Canonical SMILESO=C1CC2=CC=CC=C2CO1
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分类

  • {SNA} Benzopyrans, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P337+P313
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
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
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

  • 上游原料:二氯甲烷 --> 碳酸氢钠 --> 间氯过氧苯甲酸 --> 2-茚酮
  • 图谱信息:3-异色酮 (4385-35-7)核磁图( 13 CNMR) 3-异色酮 (4385-35-7)核磁图( 1 HNMR) 3-异色酮 (4385-35-7)质谱(MS)
  • TCI Shanghai:3-异色酮 3-Isochromanone,>;99.0%(GC)(4385-35-7)
  • Sigma Aldrich:4385-35-7(sigmaaldrich)
  • MOL 文件:4385-35-7.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzopyrans 苯并吡喃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzopyrans 苯并吡喃
  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 Ketones

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