1,3-Benzodioxole 1,2-亚甲二氧基苯

CAS 274-09-9 MFCD00005818

化学结构图

274-09-9
SMILES: c1ccc2c(c1)OCO2

化学属性

Mol. FormulaC7H6O2
Mol. Weight122.12
Refractive index1.5380 to 1.5420
Boiling Point173°C at 760 mmHg
Density1.06
Flash Point61°C
TSCAYes
Melting Point-18°C
Vapor Pressure12 mmHg ( 25 °C)
Solubility0.2 G/100 ML (25 ºC)

别名和识别编码

Chemical Name1,3-Benzodioxole
Synonym 1,3-Benzodioxole {LY} 1,3-Benzodioxole {} {LY} 1,3-Benzodioxole {} {} {LY} 1,3-Benzodioxole {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Benzodioxole {} {} {} {} {}
CAS Number274-09-9
PubChem Substance ID9229
EC Number205-992-0
Beilstein Registry Number115506
MDL NumberMFCD00005818
Reaxys-RN115506
Chemical Name Translation1,2-亚甲二氧基苯
Wiswesser Line NotationT56 BO DO CHJ
LabNetwork Molecule IDLN00189746
InChIInChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
Canonical SMILESC12=CC=CC=C1OCO2
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Protected Alcohols/Phenols
  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Protected Alcohols/Phenols

产品应用

  • 有机合成中间体。用于合成黄连素

相关文献及参考

  • Short: II/24C
  • Beilstein:19,20
  • Short: II/24B

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 3 Xn
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H302+H332
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDA5600000
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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
  • R10 Flammable 易燃
  • R10/22
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P211 Do not spray on an open flame or other ignition source.? 不要喷洒在明火或其他点火源。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P312
  • 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。
  • P330 Rinse mouth. 漱口
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number 1993
Packing GroupIII
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 580 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   7,18,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1220 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Skin and Appendages - hair
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

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

  • MOL 文件:274-09-9.mol
  • 图谱信息:1,2-亚甲二氧基苯(274-09-9)红外图谱(IR1) 1,2-亚甲二氧基苯(274-09-9)核磁图( 13 CNMR) 1,2-亚甲二氧基苯(274-09-9)质谱(MS) 1,2-亚甲二氧基苯(274-09-9)核磁图( 1 HNMR) 1,2-亚甲二氧基苯(274-09-9)Raman光谱
  • 用途二:有机合成中间体。用于合成黄连素。
  • 用途三:有机合成中间体。用于合成黄连素
  • 1,2-亚甲二氧基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0658 1,2-亚甲二氧基苯 1,2-Methylenedioxybenzene 500ML 2510元 2014/06/02 M0658 1,2-亚甲二氧基苯 1,2-Methylenedioxybenzene 25ML 303元 2010/06/21 170220500 1,2-亚甲二氧基苯 1,3-Benzodioxole 99% 50 GR 365元
  • 上游原料:乙醇 --> 氢氧化钠 --> 乙醚 --> 丙酮 --> 发烟硫酸 --> 二甲基亚砜 --> 无水氯化钙 --> 多聚甲醛 --> 邻苯二酚
  • 蒸气压:12 mm Hg ( 25 °C)
  • 水中溶解度: 0.2% (25 C); 和大多数常规有机溶剂混溶。
  • Hazard Note:Irritant
  • Alfa Aesar:1,3-苯并二茂,99% 1,3-Benzodioxole, 99%(274-09-9)
  • TCI Shanghai:1,2-亚甲二氧基苯 1,2-Methylenedioxybenzene,>;99.0%(GC)(274-09-9)
  • MSDS 信息:1,2-(Methylenedioxy)benzene(274-09-9).msds
  • Sigma Aldrich:274-09-9(sigmaaldrich)
  • Acros Organics:1,3-苯并二氧五环 1,3-Benzodioxole, 99%(274-09-9)
  • 用途一:用作重要的香料、医药及农药中间体
  • 下游产品:乙基香兰素 --> 胡椒醛 --> 4-硝基儿茶酚 --> 1,3-苯并二唑-5-基异硫氰酸酯 --> 1,3-苯并二氧杂环戊烯-5-乙腈 --> 1,2-亚甲基双氧-4-硝基苯 --> 胡椒基氯
  • 方法一:由儿茶酚经环合而得。先将儿茶酚溶于二甲基亚砜(DMSO)中,再将氢氧化钠溶于剩余的二甲基亚砜中,并加入二氯甲烷,搅拌、加热回流,待温度升至95℃时,滴加儿茶酚二甲基亚砜溶液,保持回流温度在95-110℃。滴加完毕,在110-115℃保温搅拌1h。然后于130℃进行水蒸气蒸馏,98℃以下的低沸点馏分供下批套用,收集98-110℃正馏分,静置后分出油层,即得胡椒环,收率85%。
  • 海关编码:29329970

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