詳細信息(中文): 編號系統編輯 CAS號:821-48-7 MDL號:MFCD00012515 EINECS號:212-479-5 RTECS號:IA1225000 BRN號:3550356 PubChem號:24891737 物性數據編輯 1.性狀:結晶。 2.密度(g/mL,25/4℃):未確定 3.相對蒸汽密度(g/mL,空氣=1):未確定 4.熔點(oC):212~214 5.沸點(oC,常壓):未確定 6.沸點(oC,5.2kPa):未確定 7.折射率:未確定 8.閃點(oC):未確定 9.比旋光度(o):未確定 10.自燃點或引燃溫度(oC):未確定 11.蒸氣壓(kPa,25oC):未確定 12.飽和蒸氣壓(kPa,60oC):未確定 13.燃燒熱(KJ/mol):未確定 14.臨界溫度(oC):未確定 15.臨界壓力(KPa):未確定 16.油水(辛醇/水)分配系數的對數值:未確定 17.爆炸上限(%,V/V):未確定 18.爆炸下限(%,V/V):未確定 19.溶解性:未確定 毒理學數據編輯 急性毒性:大鼠腹腔LD50:100mg/kg,小鼠吸入LD50:1000mg/m3/10M 生態學數據編輯 對水是稍微有害的,不要讓未稀釋或大量的產品接觸地下水,水道或者污水系統,若無政府許可,勿將材料排入周圍環境。 計算化學數據編輯 1、氫鍵供體數量:2 2、氫鍵受體數量:1 3、可旋轉化學鍵數量:4 4、拓撲分子極性表面積(TPSA):12 5、重原子數量:8 6、表面電荷:0 7、復雜度:28.9 8、同位素原子數量:0 9、確定原子立構中心數量:0 10、不確定原子立構中心數量:0 11、確定化學鍵立構中心數量:0 12、不確定化學鍵立構中心數量:0 13、共價鍵單元數量:2 [1] 詳細信息(英文): Numbering system editor CAS no. : 821-48-7 MDL number: MFCD00012515 EINECS no. : 212-479-5 RTECS number: IA1225000 BRN number: 3550356 PubChem number: 24891737 Physical property data editing 1. Description: crystal. 2. The density (g/mL, 25/4 ℃) : not determined 3. The relative vapor density (g/mL, air = 1) : not determined 4. The melting point (DHS) C: 212 ~ 214 5. The boiling point (DHS C, atmospheric pressure) : not determined 6. The boiling point (DHS C, 5.2 kPa) : not determined 7. The refractive index: not sure 8. Flash point (DHS) C: not sure 9. Than rotation (DHS) : not determined 10. Spontaneous combustion point or ignition temperature (DHS) C: not sure 11. Vapor pressure (kPa, 25 DHS C) : not determined 12. The saturation vapor pressure (kPa, DHS 60 C) : not determined 13. The heat of combustion (KJ/mol) : not determined 14. The critical temperature (DHS) C: not sure 15. The critical pressure (KPa) : not determined 16. Oil and water (octanol/water partition coefficient of the numerical: not sure 17. The explosion limit (%, V/V) : not determined 18. The lower explosive limit (%, V/V) : not determined 19. Solubility: not sure Toxicology data editing Acute toxicity: rat abdominal LD50:100 mg/kg, inhaled LD50 in mice: 1000 mg/m3/10 m Ecology data editing Is somewhat harmful to water, don't let the noise of undiluted or a large number of product contact groundwater, the waterway or sewage system, without government permission, do not put the material into the surrounding environment. Computational chemistry data editing 1, the number of hydrogen bonding donor: 2 2, hydrogen bond receptor number: 1 3, number of rotating chemical bonds: 4 4, topological molecular polar surface area (TPSA) : 12 5, atomic weight: 8 6, surface charge: 0 7, complexity: 28.9 8, isotope atomic number: 0 9, determine the atomic number of vertical structure center: 0 Number of 10, uncertain atoms construct center: 0 11, determine the number of chemical bonds stand structure center: 0 Num