合成制备方法

称取5.8g（0.018mol）精制的八水合氯氧化锆，ZrOCl2·8H2O，溶于50mL水，冷至15℃。另取10g（0.10mol）乙酰丙酮溶于50mL 10%的NaOH水溶液中，搅拌至油状物完全消失。此溶液冷却后过滤，滤液加到上面的锆盐溶液中。此操作过程中要一直用冰冷却及反应容器，并继续冷却1h。抽滤分离析出之晶体，水洗，得4.6g粗产物［Zr(acac)4］·10H2O。将母液冷却放置24h，可回收少量粗产物。粗产物用少量（约25mL）苯溶解，滤出不溶物，向滤液中加入石油醚，无水乙酰丙酮锆结晶沉淀析出。

海关代码：

2914509090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22

安全说明：

S22-S36/37

RTECS号：

ZH9280000

危险标志：

Xn

CHEMICAL IDENTIFICATION

RTECS NUMBER :

ZH9280000

CHEMICAL NAME :

Zirconium, tetrakis(2,4-pentanedionato-O,O')-

CAS REGISTRY NUMBER :

17501-44-9

LAST UPDATED :

199712

DATA ITEMS CITED :

23

MOLECULAR FORMULA :

C20-H28-O8-Zr

MOLECULAR WEIGHT :

487.70

WISWESSER LINE NOTATION :

1V1V1 2 &-ZR-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

316 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD441-640

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Ocular

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - corneal damage

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD441-640 *** REVIEWS *** ACGIH TLV-TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 5 mg(Zr)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,285,1971 OSHA PEL (Gen Indu):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 mg(Zr)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL-BELGIUM:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL-DENMARK:TWA 5 mg(Zr)/m3 JAN 1993 OEL-FINLAND:TWA 5 mg(Zr)/m3 JAN 1993 OEL-GERMANY:TWA 5 mg(Zr)/m3 JAN 1993 OEL-HUNGARY:STEL 5 mg(Zr)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 5 mg(Zr)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 5 mg(Zr)/m3 JAN 1993 OEL-SWITZERLAND:TWA 5 mg(Zr)/m3 JAN 1993 OEL-TURKEY:TWA 5 mg(Zr)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 5 mg(Zr)/m3;STEL 10 mg(Zr)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV

毒理学数据：

急性毒性：小鼠腹腔LD50： 316 mg/kg

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

中国海关编码：2914509090

概述：

2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

摘要/Summary：

HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:4

5.互变异构体数量:70

6.拓扑分子极性表面积161

7.重原子数量:29

8.表面电荷:0

9.复杂度:90.4

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:4

14.不确定化学键立构中心数量:0

15.共价键单元数量:5

• 
  乙酰丙酮锆红外图谱(IR1)
• 
  乙酰丙酮锆红外图谱(IR2)
• 
  乙酰丙酮锆质谱(MS)