Nome do produto：3-(4-Methylphenyl)propanoic Acid

Propriedades Computadas

• Massa Exacta: 164.08400
• Contagem de dadores de ligações de hidrogénio: 1
• Contagem de aceitadores de ligações de hidrogénio: 2
• Contagem de Ligações Rotativas: 3
• Massa monoisotópica: 164.084
• Contagem de Átomos Pesados: 12
• Complexidade: 146
• Contagem de átomos isótopos: 0
• Contagem de Estereocentros Átomos Definidos: 0
• Contagem de Estereocentros Átomos Indefinidos: 0
• Contagem de Stereocenters de Obrigações Definidas: 0
• Contagem de Stereocenters Indefined Bond: 0
• Contagem de Unidades Ligadas Covalentemente: 1
• XLogP3: 2.2
• Contagem de Tautomeros: nothing
• Carga de Superfície: 0
• Superfície polar topológica: 37.3

Propriedades Experimentais

• LogP: 2.01220
• PSA: 37.30000
• Ponto de ebulição: 290.6±9.0 ℃ at 760 mmHg
• Ponto de Fusão: 114.0 to 118.0 deg-C
• Ponto de Flash: 187.7℃
• Solubilidade: Soluble in methanol.
• Cor/Forma: Powder.
• Solubilidade: Not determined
• Densidade: 1.097

• Símbolo: GHS07
• WGK Alemanha：3
• Termo de segurança：S26;S36
• Instrução de Segurança：S26-S36
• Frases de Risco：R36/37/38
• Sinal de mercadorias perigosas： Xi
• Número de transporte de matérias perigosas：NONH for all modes of transport
• Declaração de perigo：H315-H319
• Declaração de Advertência：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• Pedir：warning
• Código da categoria de perigo：36/37/38
• Palavra de Sinal：Warning
• Classe de Perigo：IRRITANT

• CÓDIGO SH：2916399090
• Dados aduaneiros：

  China Customs Code:

  2916399090

  Overview:

  2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

  Declaration elements:

  Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

  Summary:

  2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

• 1. Electron spin resonance studies. Part 71. Side-chain oxidation pathways in the reactions of ˙OH and SO4 –˙ with some phenyl-substituted carboxylic acids, their anions, and some related compounds Bruce C. Gilbert,Cathryn J. Scarratt,C. Barry Thomas,John Young –˙ with some phenyl-substituted carboxylic acids their anions and some related compounds. Bruce C. Gilbert Cathryn J. Scarratt C. Barry Thomas John Young J. Chem. Soc. Perkin Trans. 2 1987 371
• 2. Nitrile biotransformations for the synthesis of enantiomerically enriched Baylis–Hillman adducts Mei-Xiang Wang,Yan Wu Org. Biomol. Chem. 2003 1 535
• 3. Enantioselective synthesis of β2-amino acids using rhodium-catalyzed hydrogenation Rob Hoen,Theodora Tiemersma-Wegman,Barbara Procuranti,Laurent Lefort,Johannes G. de Vries,Adriaan J. Minnaard,Ben L. Feringa Org. Biomol. Chem. 2007 5 267
• 4. I2/Cu-mediated self-sorting domino reaction of aryl β-ketoesters into symmetrical 2-carboalkoxy-1,4-enediones: application to synthesis of pyrazine, β-carboline and quinoxalines Gandhesiri Satish,Andivelu Ilangovan RSC Adv. 2015 5 46163

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