1-Adamantanecarboxylic acid 1-金刚烷甲酸

CAS 828-51-3 MFCD00074720

化学结构图

828-51-3
SMILES: O=C(O)C12CC3CC(CC(C3)C1)C2

化学属性

Mol. FormulaC11H16O2
Mol. Weight180.25
Melting Point172-176°C
Density1.23
TSCANo
Appearance 淡黄色粉末。
Boiling Point304.7°C at 760 mmHg

别名和识别编码

Chemical NameAdamantoic Acid
CAS Number828-51-3
Alfabeta NameADAMANTANECARBOXYLICACID 1-
MDL NumberMFCD00074720
PubChem Substance ID13235
Beilstein Registry Number1910637
EC Number212-584-6
Reaxys-RN1910637
Synonym Adamantane-1-carboxylic acid {LY} Adamantane-1-carboxylic acid {} {LY} Adamantane-1-carboxylic acid {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantane-1-carboxylic acid {} {} {}
Chemical Name Translation1-金刚烷甲酸
Wiswesser Line NotationL 66 B6/B-H/DI A B- C 1B ITJ AVQ
InChIKeyJIMXXGFJRDUSRO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00170244
InChIInChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
Canonical SMILESOC(C12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)=O
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分类

  • Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:9(4)253
  • Reaction with alkaline permanganate gives the 3-hydroxy derivative in good yield. Further modification leads to 1,3-disubstituted adamantanes: Synth. Commun., 18, 1967 (1988):
  • Reaction with alkaline permanganate gives the 3-hydroxy derivative in good yield. Further modification leads to 1,3-disubstituted adamantanes: Synth. Commun., 18, 1967 (1988):

安全信息

Warnings IRRITANT
WGK Germany3
RTECSAU4452200
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
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
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P264+P265
  • 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+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • 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）。
  • P330 Rinse mouth. 漱口
  • 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
  • H302 Harmful if swallowed 吞食有害
  • 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 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 43,73,1980

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 8,396,1974

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

  • Acros Organics:1-金刚烷甲酸 1-Adamantanecarboxylic acid, 99%(828-51-3)
  • TCI Shanghai:1-金刚烷羧酸 1-Adamantanecarboxylic Acid,>;98.0%(GC)(T)(828-51-3)
  • 1-金刚烷甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010404 1-金刚烷甲酸 25g 356元 2011/04/16 A0742 1-金刚烷羧酸 1-Adamantanecarboxylic Acid 25G 480元 2011/04/16 A0742 1-金刚烷羧酸 1-Adamantanecarboxylic Acid 500G 5860元
  • MSDS 信息:Tricyclo[3.3.1.1(3,7)]decan-1-Carboxylic acid(828-51-3).msds
  • 海关编码:29162000
  • 不溶于水。
  • MOL 文件:828-51-3.mol
  • 检测方法:T,NMR
  • 图谱信息:1-金刚烷甲酸(828-51-3)红外图谱(IR1) 1-金刚烷甲酸(828-51-3)核磁图( 1 HNMR) 1-金刚烷甲酸(828-51-3)红外图谱(IR2) 1-金刚烷甲酸(828-51-3)红外图谱(IR3) 1-金刚烷甲酸(828-51-3)质谱(MS) 1-金刚烷甲酸(828-51-3)核磁图( 13 CNMR)
  • Hazard Note:Irritant
  • 下游产品:1-金刚烷甲胺 --> 金刚烷酰氯
  • 用途一:用作合成盐酸金刚乙胺的中间体
  • Alfa Aesar:1-金刚烷甲酸,99% Adamantane-1-carboxylic acid, 99%(828-51-3)
  • Sigma Aldrich:828-51-3(sigmaaldrich)

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. C11 to C12 - 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. Adamantanes
  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. C10