锌试剂

锌试剂 基本信息
CAS号 62625-22-3 分子式 C20H16N4O6S
分子量 440.42900 精确质量 　440.07900
PSA 　169.39000 LogP 　5.04850
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等价的CAS号：

56484-13-0,62625-22-3,81028-95-7
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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：
62625-22-3
3D弹球模型：
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分子式：
C20H16N4O6S
分子量：
440.42900
中文名称：
锌试剂
英文名称：
ZINCON
中文别名：
锌试剂;
锌钠混合试剂;
[邻[2-(2-羟基-5-磺基苯偶氮)亚苄基]肼基苯甲酸;
邻[2-(2-羟基-5-磺基苯偶氮)亚苄基]肼基苯甲酸;
邻[2-（2-羟基-5-磺基苯偶氮）亚苄基]肼基苯甲酸单钠盐;
邻[2-;
5-(2-羧基苯基)-1-(2-羟基-5-磺基苯基)-3-苯基甲NFDB9;
锌单钠盐;
2-羧基-2''-羟基-5''-磺基苯鐕基苯
英文别名：
ZINCON;
2-[N'''-(2-hydroxy-5-sulfo-phenyl)-3-phenyl-formazano]-benzoic acid,sodium-salt;
5-(o-Carboxyphenyl)-1-(2-hydroxy-5-sulfophenyl)-3-phenyl forMazan;
ZINCON SODIUM;
2-[N'''-(2-Hydroxy-5-sulfo-phenyl)-3-phenyl-formazano]-benzoesaeure,Natrium-Salz;
ZINCON MONOSODIUM SALT;
2-CARBOXY-2'-HYDROXY-5'-SULFOFORMAZYLBENZENE SODIUM SALT;
ZINCON extrapure AR
精确分子量/精确质量：
440.07900
极性分子表面积/PSA：
169.39000
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：
MFCD00064385
EINECS：
263-651-1
PubChem：
24890297
BRN：
3872699
InChI：
InChI=1/C20H16N4O6S.Na/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27;/h1-12,21,25H,(H,26,27)(H,28,29,30);/q;+1/p-1/b23-19+,24-22+;

生产制备方法及用途展开↓

制备方法

1.用少量水将邻氨基苯甲酸搅拌成糊状，慢慢加入浓盐酸，冷至0℃后加入亚硝酸钠进行重氮化反应，然后，在10℃下加入用水调成的20%的亚硫酸钠糊状物、乙酸和锌粉，搅拌下保温2h，当溶液透明后，滤去不溶物，滤液冷却后，加入浓盐酸，静置冷却结晶所得邻羧基苯肼晶体制成饱和水溶液过滤后的滤液在搅拌下加入1 ∶ 1的苯甲-乙醇溶液至黄色糊状物析出，继续搅拌10～20min，过滤后得苯甲醛缩-2- 羧基苯腙，备用。上述过程反应式为： 向邻羟基苯胺-5-磺酸中加入冰水和盐酸，使之冷到5℃以下，搅拌下慢慢加入亚硝酸钠溶液进行重氮反应，以碘化钾-淀粉试纸控制终点。重氮化结束后，将备用的苯腙与5%的氢氧化钠混合而成的溶液在搅拌下慢慢加入，并补加氢氧化钠溶液至全溶，控制温度不超过10℃，静置2h后过滤，滤液中加乙酸至酸性，析出的结晶用乙醇重结晶后得纯品。

合成制备方法

1. 用少量水将邻氨基苯甲酸搅拌成糊状，慢慢加入浓盐酸，冷至0℃后加入亚硝酸钠进行重氮化反应，然后，在10℃下加入用水调成的20%的亚硫酸钠糊状物、乙酸和锌粉，搅拌下保温2h，当溶液透明后，滤去不溶物，滤液冷却后，加入浓盐酸，静置冷却结晶所得邻羧基苯肼晶体制成饱和水溶液过滤后的滤液在搅拌下加入1 ∶ 1的苯甲-乙醇溶液至黄色糊状物析出，继续搅拌10～20min，过滤后得苯甲醛缩-2-羧基苯腙，备用。上述过程反应式为：

向邻羟基苯胺-5-磺酸中加入冰水和盐酸，使之冷到5℃以下，搅拌下慢慢加入亚硝酸钠溶液进行重氮反应，以碘化钾-淀粉试纸控制终点。重氮化结束后，将备用的苯腙与5%的氢氧化钠混合而成的溶液在搅拌下慢慢加入，并补加氢氧化钠溶液至全溶，控制温度不超过10℃，静置2h后过滤，滤液中加乙酸至酸性，析出的结晶用乙醇重结晶后得纯品。

用途简介

用作光度法测定Zn2+,Cu2+等的显色剂。也可用作EDTA配合滴定法测定Zn2+、Hg2+和Pb2+等的金属指示剂。

用途

1.用作光度法测定 Zn2+,Cu2+  等的显色剂。也可用作EDTA配合滴定法测定Zn2+、Hg2+  和Pb2+等的金属指示剂。

物化性质展开↓

外观与性状：
暗微红的紫色粉末
熔点：
250-260 °C (dec.)
存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

稳定性相关：

远离氧化物。

其它信息：

1.       性状：红棕色粉末。

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：250-260

5.       沸点（ºC,常压）：未确定

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：微溶于水和乙醇，易溶于碱性溶液。在碱性溶液中显红色。

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
36/38
安全说明：
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

毒理性展开↓

生态数据：

对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: Zincon monosodium salt Material Safety Data Sheet
Synonym: Benzoic acid, 2-[[[(2-hydroxy-5-sulfophenyl)azo]phenylmethylene]hydrazino]-, monosodium salt; o-[2-[alpha(2-Hydroxy-5-sulfophenylazo)benzylidene]hydrazino]benzoic acid sodium salt
CAS: 62625-22-3
Section 1 - Chemical Product   MSDS Name:Zincon monosodium salt Material Safety Data Sheet
Synonym:Benzoic acid, 2-[[[(2-hydroxy-5-sulfophenyl)azo]phenylmethylene]hydrazino]-, monosodium salt; o-[2-[alpha(2-Hydroxy-5-sulfophenylazo)benzylidene]hydrazino]benzoic acid sodium salt
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
62625-22-3 Zincon, monosodium salt 100 263-651-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:
Treat symptomatically and supportively.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Use with adequate ventilation.
Avoid breathing dust.
Storage:
Keep container closed when not in use. 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# 62625-22-3: 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 protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Crystalline powder
Color: dark red
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C20H15N4NaO6S
Molecular Weight: 462.41
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 62625-22-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Zincon, monosodium salt - Not listed by ACGIH, IARC, or NTP.
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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 62625-22-3: No information available.
Canada
CAS# 62625-22-3 is listed on Canada's DSL List.
CAS# 62625-22-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62625-22-3 is listed on the TSCA inventory.

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）：

2、   氢键供体数量：3

3、   氢键受体数量：10

4、   可旋转化学键数量：7

5、   拓扑分子极性表面积（TPSA）：160

6、   重原子数量：32

7、   表面电荷：0

8、   复杂度：932

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：0

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：2

14、   共价键单元数量：2

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