柠檬酸氢二铵

柠檬酸氢二铵 基本信息
CAS号 3012-65-5 分子式 C6H14N2O7
分子量 226.18500 精确质量 　226.08000
PSA 　138.61000 LogP 　-0.60070
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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 化学图谱 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
3012-65-5
3D弹球模型：
立即前往扯扯看
分子式：
C6H14N2O7
分子量：
226.18500
中文名称：
柠檬酸氢二铵
英文名称：
diammonium citrate
中文别名：
柠檬酸氢二铵;
柠檬酸氢铵;
二碱式柠檬酸铵;
柠檬酸氢二
英文别名：
diammonium citrate;
AMMONIUM HYDROGENCITRATE;
citric acid,diammonium salt;
Ammonium hydrogencitrate,Citric acid ammonium salt,Diammonium hydrogen citrate;
Ammonium Citrates;
(NH4)2H citrate;
AMMONIUM CITRATE;
Ammonium citrate dib;
Ammonium citrate dibasic;
Citric acid,diammonium salt;
Citronensaeure,Diammonium-Salz;
AMMONIUM CITRATE,DIBASIC;
CITRIC ACID,DIAMMONIUM;
dibasicammoniumcitrate;
diammoniumcitrate;
CITRIC ACID AMMONIUM SALT
精确分子量/精确质量：
226.08000
极性分子表面积/PSA：
138.61000
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：
MFCD00013068
EINECS：
221-146-3
BRN：
4925760
InChI：
InChI=1/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3

生产制备方法及用途展开↓

制备方法

1.将柠檬酸溶于氨水,蒸发浓缩,加入乙醇,析出柠檬氢二铵结晶。

合成制备方法

1.将柠檬酸溶于氨水，蒸发浓缩，加入乙醇，析出柠檬氢二铵结晶。

用途简介

柠檬酸氢二铵主要用作缓冲剂、防锈剂、增塑剂、络合剂、电容电子材料。分析化学中用作化学试剂，如肥料中磷酸根的测定。广泛用于石油化工，电子工业。

用途

1.测定肥料中磷酸盐。用作缓冲剂。防锈剂。增塑剂。

2.分析试剂，肥料中磷酸根的测定。

3. 用作分析试剂，如作配合萃取剂、配合掩蔽剂、缓冲剂。

物化性质展开↓

外观与性状：
白色粒状的带有氨气味
密度：
1.22 g/mL at 20 °C
熔点：
185 °C (dec.)(lit.)
沸点：
100 °C(lit.)
闪点：
155.2ºC
蒸汽密度：
1.8 (vs air)
存储条件/存储方法：

 密闭于阴凉干燥环境中

稳定性相关：

1.遵照规定使用和储存则不会分解。

2.水溶液呈弱酸性。

其它信息：

1.       性状：无色细小结晶或白色颗粒。

2.       密度（g/mL,25/4℃）：1.48

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：185

5.       沸点（ºC,常压）：100

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：溶于约1份水，微溶于乙醇。溶液呈弱酸性，0.1mol/L水溶液的pH约为4.3。

安全信息展开↓

海关代码：
2923900090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37
安全说明：
S26-S36
RTECS号：
GE7545000
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
危险标志：
Xi:Irritant

化学图谱

  1. 柠檬酸氢二铵红外图谱(IR1)

  2. 柠檬酸氢二铵红外图谱(IR2)

  3. 柠檬酸氢二铵质谱(MS)

  4. 柠檬酸氢二铵核磁图(13CNMR)

  5. 柠檬酸氢二铵Raman光谱

  6. 柠檬酸氢二铵核磁图(1HNMR)

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毒理性展开↓

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。眼睛、皮肤及呼吸道有刺激作用。

MSDS 展开↓

Name: Ammonium Citrate Dibasic Material Safety Data Sheet
Synonym: Ammonium monohydrogen citrate; citric acid diammonium salt; diammonium citrate; diammonium hydrogen citratae; dibasic ammonium ci
CAS: 3012-65-5
Section 1 - Chemical Product   MSDS Name:Ammonium Citrate Dibasic Material Safety Data Sheet
Synonym:Ammonium monohydrogen citrate; citric acid diammonium salt; diammonium citrate; diammonium hydrogen citratae; dibasic ammonium ci
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3012-65-5 Ammonium Citrate Dibasic 100 221-146-3
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause cataracts and atrophy of the retina and iris. May cause severe and immediate pain followed by conjunctival edema and corneal clouding.
Skin:
May cause severe irritation and possible burns.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood). Causes respiratory tract irritation.
Inhalation of high concentrations can cause swelling of the lips and conjunctiva, temporary blindness, chest tightness, rapid and weak pulse, and pulmonary edema.
Chronic:
No information found.
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 flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Absorption of this product into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Moderate degrees of cyanosis need to be treated only by supportive measures: bed rest and oxygen inhalation. For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood. Cleansing of the entire contaminated area of the body is of utmost importance.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or alcohol-resistant foam.
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:
Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3012-65-5: 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: white
Odor: ammonia-like - weak odor
pH: 4.8-5.3 (5% soln)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Decomposes.
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: 1.5
Molecular Formula: (NH4)2C6H6O7
Molecular Weight: 226.1072
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizers.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3012-65-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ammonium Citrate Dibasic - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
USA RQ: CAS# 3012-65-5: 5000 lb final RQ; 2270 kg final RQ
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3012-65-5: 1
Canada
CAS# 3012-65-5 is listed on Canada's DSL List.
CAS# 3012-65-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3012-65-5 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2923900090

概述：
2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：无可用

2、   摩尔体积（cm3/mol）：无可用       

3、   等张比容（90.2K）：无可用

4、   表面张力（dyne/cm）：无可用

5、   极化率：无可用

计算化学数据

1、   疏水参数计算参考值（XlogP）：无可用

2、   氢键供体数量：4

3、   氢键受体数量：7

4、   可旋转化学键数量：3

5、   拓扑分子极性表面积（TPSA）：140

6、   重原子数量：15

7、   表面电荷：0

8、   复杂度：234

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：1

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：3

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