CAS: 95058-92-7; (R)-Ethyl 3-((R)-2,2-Dimethyl-1,3-Dioxolan-4-yl)-2,2-Difluoro-3-Hydroxypropanoate

• 英文名称(R)-Ethyl 3-((R)-2,2-Dimethyl-1,3-Dioxolan-4-yl)-2,2-Difluoro-3-Hydroxypropanoate
• 中文名称二氟-羟基-(亚异丙基二氧丙基)-丙酸乙酯
• IUPAC名称ethyl (R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
• 其它别名Propionate (T3); 3-(2,2-Dimethyl[1,3]Dioxolan-4-yl)-2,2-Difluora-3-Hydroxy-Propionic Acid Ethyl Ester; Ethyl (3R,S)-2,2-Difluoro-3-Hydroxy-3-(2,2-Dimethyldioxolan-4-yl)Propionate; Ethyl(3Rs)-2,2-Difluoro-3-(2,2-Dimethylioxolan-4-yl)Propionate; D-Erythro-Pentonic Acid, 2-Deoxy-2,2-Difluoro-4,5-O-(1-Methylethylidene)-, Ethyl Ester; 2-Deoxy-2,2-Difluoro-4,5-O-(1-Methylethylidene)-D-Erythropentonic Acid Ethyl Ester; Ethyl(3Rs)-2,2-Difluoro-3-(2,2-Dimethyldioxolan-4-yl)Propionate; D-Erythro-Pentonic Acid, 2-Deoxy-2,2-Difluoro-4,5-O-(1-Methylethylidene)-, Ethyl Ester (9Ci)
• CAS编号95058-92-7
• MFCD编号:MFCD09833384
• 分子式:C10H16F2O5
• 分子量:254.23
• 产品CID: 2002802
• 产品分类Chemistry → Asymmetric Synthesis → Chiral Building Blocks | Esters | Fluorinated Building Blocks | Alcohols | Dioxolanes | Pharmaceutical Intermediates → Antineoplastics → Gemcitabine related

• 相似结构搜索
• InChIKey: OUFRYOWGFSOSEY-RNFRBKRXSA-N
• InChI=1S/C10H16F2O5/c1-4-15-8(14)10(11,12)7(13)6-5-16-9(2,3)17-6/h6-7,13H,4-5H2,1-3H3/t6-,7-/m1/s1…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点338.4±37.0 °C at 760 mmHg
• 闪点158.5±26.5 °C
• 密度1.2±0.1 g/cm3
• pKa:11.95±0.20(预测)
• PSA:64.99
• LogP:1.86
• 折射率1.428
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性Chloroform, Dichloromethane, Methanol

MSDS等安全信息

• 警示词warning
• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

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海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管