2-(Benzo[d][1,3]dioxol-5-yl)acetic acid 2-(苯并[d][1,3]二氧杂环戊烯-5-基)乙酸

CAS 2861-28-1 MFCD00014576

化学结构图

2861-28-1
SMILES: O=C(O)Cc1ccc2c(c1)OCO2

化学属性

Mol. FormulaC9H8O4
Mol. Weight180.16
Melting Point127-130°C
Density1.422
TSCANo
Boiling Point340.6°C at 760 mmHg
Flash Point142.4°C

别名和识别编码

Chemical Name2-(Benzo[d][1,3]dioxol-5-yl)acetic acid
CAS Number2861-28-1
Alfabeta NameMETHYLENEDIOXYPHENYLACETICACID 34-,
MDL NumberMFCD00014576
Synonym 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID76115
Beilstein Registry Number177739
EC Number220-679-9
Reaxys-RN177739
Chemical Name Translation2-(苯并[d][1,3]二氧杂环戊烯-5-基)乙酸
InChIKeyODVLMCWNGKLROU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00159422
InChIInChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
Canonical SMILESO=C(O)CC1=CC=C(OCO2)C2=C1
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分类

  • Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Perez-Medrano, A., et al.: J. Med. Chem., 52, 3366 (2009),
  • Beil. 19 ,V,7,311
  • FT-IR 2 (2), 2620:D / FT-NMR 1 (2), 1033:B / RegBook 1 (2), 1765:D / Structure Index 1 , 282:E:1 / Vapor Phase 3 , 1321:B

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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；
  • 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
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

  • 3,4-(亚甲基二氧)苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 M1008 3,4-亚甲基二氧苯乙酸 3,4-Methylenedioxyphenylacetic Acid 5G 903元 2011/04/16 M1008 3,4-亚甲基二氧苯乙酸 3,4-Methylenedioxyphenylacetic Acid 25G 2720元 2010/06/21 302620025 3,4-(亚甲基二氧)苯乙酸 3,4-(Methylenedioxy)phenylacetic acid 98.5+% 2.5 GR 392元
  • Acros Organics:3,4-(Methylenedioxy)phenylacetic acid, 98.5+%(2861-28-1)
  • Sigma Aldrich:2861-28-1(sigmaaldrich)
  • Alfa Aesar:3,4-(亚甲二氧基)苯乙酸,98% 3,4-(Methylenedioxy)phenylacetic acid, 98%(2861-28-1)
  • 图谱信息:3,4-(亚甲基二氧)苯乙酸(2861-28-1)核磁图( 1 HNMR) 3,4-(亚甲基二氧)苯乙酸(2861-28-1)质谱(MS) 3,4-(亚甲基二氧)苯乙酸(2861-28-1)核磁图( 13 CNMR) 3,4-(亚甲基二氧)苯乙酸(2861-28-1)红外图谱(IR2) 3,4-(亚甲基二氧)苯乙酸(2861-28-1)红外图谱(IR1)
  • Hazard Note:Irritant
  • MOL 文件:2861-28-1.mol
  • TCI Shanghai:3,4-(亚甲基二氧)苯乙酸 3,4-Methylenedioxyphenylacetic Acid,>;98.0%(GC)(T)(2861-28-1)
  • 上游原料:氢氧化钠 --> 甲醇 --> N,N-二甲基甲酰胺 --> 氧氯化硫 --> 碳酸钾 --> 三氯甲烷 --> 正己烷 --> 3,4-二羟基苯乙酸 --> 二碘甲烷
  • 3,4-(亚甲基二氧)苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1008 3,4-亚甲基二氧苯乙酸 3,4-Methylenedioxyphenylacetic Acid 5G 630元 2014/06/02 M1008 3,4-亚甲基二氧苯乙酸 3,4-Methylenedioxyphenylacetic Acid 25G 2190元 2010/06/21 302620025 3,4-(亚甲基二氧)苯乙酸 3,4-(Methylenedioxy)phenylacetic acid 98.5+% 2.5 GR 392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. C9 - 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
  6. C8