硝酸铜

硝酸铜 基本信息
CAS号 3251-23-8 分子式 CuN2O6
分子量 187.55600 精确质量 　186.90500
PSA 　137.76000 LogP 　0.56570
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
3251-23-8
分子式：
CuN2O6
分子量：
187.55600
中文名称：
硝酸铜
英文名称：
copper(II) nitrate
中文别名：
硝酸铜;
硝酸銅
英文别名：
copper(II) nitrate;
Copperbis(nitrate);
cupricdinitrate;
Copper dinitrate;
claycop;
CU(NO3)2;
Kupfer(II)-nitrat;
COPPER NITRATE;
COPPER (II) NITRATE;
copper(2+)nitrate
精确分子量/精确质量：
186.90500
极性分子表面积/PSA：
137.76000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00149669
EINECS：
221-838-5
PubChem：
24853292

生产制备方法及用途展开↓

制备方法

金属铜法将30%～32%硝酸加入带搅拌的耐酸反应器中,在搅拌下缓慢加人铜屑进行反应。待反应进行8h后,将溶液加热到60～70℃,逐出氧化氮气体,反应至无黄烟产生为止。将溶液放入贮槽,加水稀释,然后过滤,清滤液用硝酸酸化后进行减压蒸发,在60～70℃下浓缩至溶液相对密度1.78～1.8,再冷却结晶、离心分离、干燥,制得硝酸铜成品。其3Cu+8HNO3→3Cul(NO3)2+4H2O+2NO↑反应过程中有氧化氮气体逸出,有毒,处理方法参见硝酸钠生产的吸收法。氧化铜法用含铜下脚料(含有金属铜、硫化铜、硫酸铜等)在600℃下焙烧6h,生成的氧化铜用稀硫酸酸化得到硫酸铜溶液,经澄清、过滤,清滤液用铁屑进行置换,经沉降分出金属铜,再经淘洗除去混在金属铜粉内的铁屑,然后经分离、焙烧,得到黑色氧化铜粉末。在带搅拌的耐酸反应器中加入水、母液、浓硝酸,在搅拌下于25～30℃缓慢加入氧化铜,直至无黄烟发生为止,溶液用水稀释至30°Bé,进行真空吸滤。清滤液加入双氧水,并调节Ph4～4.5,再经澄清、过滤,除去氢氧化铁沉淀。将清液加入硝酸酸化后,经蒸发浓缩、冷却结晶、离心分离、干燥,制得硝酸铜成品。其2Cu+O2→2CuOCuS+2O2→CuSO4CuSO4→CuO+SO2↑CuO+H2SO4→CuSO4+H2OCuSO4+Fe→FeSO4+Cu↓CuO+2fHNO3→Cu(NO3)2+H2O

合成制备方法

制法Cu+3N2O4→Cu(NO3)2·N2O4+2NO

Cu(NO3)2·N2O4→Cu(NO3)2+N2O4

从钢瓶中放出20mL N2O4于图中的反应管A中。然后加入铜条和20mL醋酸乙酯，在室温下放置4h，有沉淀Cu(NO3)2·N2O4析出，取下反应管迅速除去未反应的金属铜并加入20mL N2O4。装回反应管，并将仪器倒过来抽吸，取下反应管A，用15mL N2O4洗涤沉淀。取走滤液管C，将生成的Cu(NO3)2·N2O4倒入另一个干燥管A中。晶体上方塞紧一小块玻璃棉，将此管连接到高真空线上，在1.33Pa下用油浴(浸没到玻璃棉上方)加热到120℃，化合物分解为无水Cu(NO3)2，慢慢加热到200℃硝酸铜升华于管壁上方，收集。

精制法用热的发烟硝酸对市售的三水合硝酸铜进行再结晶，则得到无水硝酸铜。

用3%左右的稀硝酸对市售的三水合硝酸铜进行再结晶时，在冰冷却下则析出六水合物，而在30℃以上则析出三水合物。

用途简介

用作搪瓷着色剂，也用于镀铜、制氧化铜及农药等。

用途

用作分析试剂及氧化剂。

物化性质展开↓

外观与性状：
蓝色结晶固体
密度：
1.00 g/mL at 20 °C
熔点：
115°C
沸点：
83ºC at 760 mmHg
水溶解性：
Soluble
存储条件/存储方法：
库房通风低温干燥,轻装轻卸,与有机物、还原剂、硫、磷易燃物分开存放

安全信息展开↓

包装等级：
II
风险类别：
5.1
海关代码：
2834299090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R8;R22;R34
安全说明：
S53-S17-S26-S36/37/39-S45-S36
安全标志：
S17:远离可燃物质。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
O: Oxidizing agent;C: Corrosive;Xi: Irritant;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QU7400000
CHEMICAL NAME :
Nitric acid, copper(2+) salt
CAS REGISTRY NUMBER :
3251-23-8
LAST UPDATED :
199712
DATA ITEMS CITED :
42
MOLECULAR FORMULA :
N2-O6.Cu
MOLECULAR WEIGHT :
187.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,563,1982
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,573,1982
TYPE OF TEST :
Rinsed with water
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,573,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
794 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14700 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17100 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
INJPD2 Indian Journal of Pharmacology. (Dept. of Pharmacology, Baranas Hindu Univ., Varanasi 221 005, India) V.1- 1968(?)- Volume(issue)/page/year: 23,153,1991 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 0.1 mg(Cu)/m3 (fume) JAN 1993 OEL-AUSTRALIA:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-AUSTRALIA:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-BELGIUM:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-BELGIUM:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-DENMARK:TWA 0.1 mg(Cu)/m3 (fume) JAN 1993 OEL-DENMARK:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-FINLAND:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-FINLAND:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-FRANCE:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-FRANCE:TWA 1 mg(Cu)/m3;STEL 2 mg(Cu)/m3 (dust) JAN 1993 OEL-GERMANY:TWA 0.1 mg(Cu)/m3 (fume) JAN 1993 OEL-GERMANY:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-HUNGARY:TWA 0.2 mg(Cu)/m3;STEL 0.4 mg(Cu)/m3 (dust) JAN 1993 OEL-INDIA:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-THE NETHERLANDS:TWA 02 mg(Cu)/m3 (fume) JAN 1993 OEL-THE NETHERLANDS:TWA 1 mg(Cu)/m3 (dust) JAN 1993 OEL-THE PHILIPPINES:TWA 1.0 mg(Cu)/m3 (fume) JAN 1993 OEL-POLAND:TWA 0.1 mg(Cu)/m3 (fume) JAN 1993 OEL-RUSSIA:STEL 0.5 ppm (1 mg(Cu)/m3) (dust) JAN 1993 OEL-SWEDEN:TWA 0.2 mg(Cu)/m3 (resp. dust) JAN 1993 OEL-SWEDEN:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-SWEDEN:TWA 1 mg(Cu)/m3 (total dust) JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(Cu)/m3;STEL 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-SWITZERLAND:TWA 1 mg(Cu)/m3;STEL 1 mg(Cu)/m3 JAN 1993 OEL-THAILAND:TWA 0.1 mg(Cu)/m3 (fume) JAN 1993 OEL-THAILAND:TWA 1 mg(Cu)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.2 mg(Cu)/m3 (fume) JAN 1993 OEL-UNITED KINGDOM:TWA 1 mg(Cu)/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84335 No. of Facilities: 97 (estimated) No. of Industries: 6 No. of Occupations: 8 No. of Employees: 738 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84335 No. of Facilities: 844 (estimated) No. of Industries: 19 No. of Occupations: 23 No. of Employees: 13313 (estimated) No. of Female Employees: 1746 (estimated)

MSDS 展开↓

Name: Copper(II) nitrate trihydrate p.a. Material Safety Data Sheet
Synonym: Cupric nitrate trihydrate
CAS: 3251-23-8
Section 1 - Chemical Product   MSDS Name:Copper(II) nitrate trihydrate p.a. Material Safety Data Sheet
Synonym:Cupric nitrate trihydrate
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3251-23-8 Copper(II) nitrate trihydrate >99 unlisted
Hazard Symbols: XN O
Risk Phrases: 22 36/38 8
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes and skin. Contact with combustible material may cause fire.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns. Contact may cause ulceration of the conjunctiva and cornea.
Skin:
May cause severe irritation and possible burns. May cause dermatitis. May cause skin discoloration.
Ingestion:
May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. May cause liver and kidney damage. May cause hemorrhaging of the digestive tract.
Inhalation:
May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, tachycardia, dyspnea (labored breathing), and death. May cause ulceration and perforation of the nasal septum if inhaled in excessive quantities. May cause severe irritation of the upper respiratory tract with pain, burns, and inflammation.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion. May cause liver and kidney damage. Individuals with Wilson's disease are unable to metabolize copper. Thus, copper accumulates in various tissues and may result in liver, kidney, and brain damage.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Call a poison control center. If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Antidote: The use of d-Penicillamine as a chelating agent should be determined by qualified medical personnel.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
Strong oxidizer. Contact with other material may cause fire. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Wear appropriate protective clothing to prevent contact with skin and eyes. Wear a self-contained breathing apparatus (SCBA) to prevent contact with thermal decomposition products.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Contents may develop pressure upon prolonged storage. Keep away from heat, sparks and flame. Avoid contact with clothing and other combustible materials.
Do not get on skin or in eyes. Do not ingest or inhale.
Storage:
Keep away from heat, sparks, and flame. Do not store near combustible materials. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Local exhaust ventilation may be necessary to control any air contaminants to within their TLVs during the use of this product.
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 3251-23-8: CAS# 10031-43-3: United Kingdom, WEL - TWA: (listed as copper): 0.2 mg/m3 TWA (fum 1 mg/m3 TWA (dust and mist) United Kingdom, WEL - STEL: (listed as copper): 0.6 mg/m3 STEL (fume); 2 mg/m3 STEL (dust and mist) United States OSHA: 0.1 mg/m3 TWA (fume); 1 mg/m3 TWA (dusts and mists) (listed under Copper).
Belgium - TWA: (listed as copper): 0.2 mg/m3 VLE (fume); 1 mg/m3 (dust and mist) France - VME: (listed as copper): 0.2 mg/m3 VME (fume); 1 mg/m3 V (dust, as Cu) France - VLE: (listed as copper): 2 mg/m3 VLE (dust, as Cu) Germany: (listed as copper): 0.2 mg/m3 VME (fume); 1 mg/m3 VME (d as Cu) Malaysia: (listed as copper): 0.2 mg/m3 TWA (fume, as Cu); 1 mg/m TWA (dust and mist, as Cu) Netherlands: (listed as copper): 0.2 mg/m3 MAC (smoke); 1 mg/m3 M (dust) Russia: (listed as copper): 1 mg/m3 TWA (dust) Russia: (listed as copper): 0.5 mg/m3 STEL (dust) Spain: (listed as copper): 0.2 mg/m3 VLA-ED (fume); 1 mg/m3 VLA-E (dust and mist, as Cu) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: blue
Odor: odorless
pH: 4.0 for 0.2M soln.
Vapor Pressure: Not applicable.
Viscosity: Not available.
Boiling Point: Not applicable.
Freezing/Melting Point: 114 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: 2.05
Molecular Formula: Cu(NO3)2.3H2O
Molecular Weight: 241.60
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, combustible materials, reducing agents, strong oxidants, organic matter.
Incompatibilities with Other Materials:
Reducing agents, combustible materials, potassium ferrocyanide, ether, tin. Ignites paper spontaneously in the presence of moisture.
Hazardous Decomposition Products:
Oxides of nitrogen, irritating and toxic fumes and gases, copper fumes.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3251-23-8: QU7400000 CAS# 10031-43-3: GL7875000 LD50/LC50:
CAS# 3251-23-8: Draize test, rabbit, eye: 100 mg Severe; Draize test, rabbit, skin: 500 mg Severe; Oral, mouse: LD50 = 430 mg/kg; Oral, rat: LD50 = 794 mg/kg; Oral, rat: LD50 = 940 mg/kg.
CAS# 10031-43-3: Oral, rat: LD50 = 940 mg/kg.
Carcinogenicity:
Cupric nitrate - Not listed by ACGIH, IARC, or NTP.
Copper(II) nitrate trihydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: NITRATES, INORGANIC, N.O.S.
Hazard Class: 5.1
UN Number: 1477
Packing Group: II
IMO
Shipping Name: NITRATES, INORGANIC, N.O.S.
Hazard Class: 5.1
UN Number: 1477
Packing Group: II
RID/ADR
Shipping Name: NITRATES, INORGANIC, N.O.S.
Hazard Class: 5.1
UN Number: 1477
Packing group: II
USA RQ: CAS# 3251-23-8: 100 lb final RQ; 45.4 kg final RQ
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN O
Risk Phrases:
R 22 Harmful if swallowed.
R 36/38 Irritating to eyes and skin.
R 8 Contact with combustible material may cause
fire.
Safety Phrases:
S 17 Keep away from combustible material.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3251-23-8: No information available.
CAS# 10031-43-3: 2
Canada
CAS# 3251-23-8 is listed on Canada's DSL List.
CAS# 3251-23-8 is listed on Canada's Ingredient Disclosure List.
CAS# 10031-43-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3251-23-8 is listed on the TSCA inventory.
CAS# 10031-43-3 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:6

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积126

7.重原子数量:9

8.表面电荷:0

9.复杂度:18.8

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:3

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