吡啶-(2-偶氮-4)间苯二酚

吡啶-(2-偶氮-4)间苯二酚 基本信息
CAS号 1141-59-9 分子式 C11H9N3O2
分子量 215.20800 精确质量  215.06900
PSA  78.07000 LogP  2.90820

基本信息 展开↓

CAS号:
1141-59-9
3D弹球模型:
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分子式:
C11H9N3O2
分子量:
215.20800
中文名称:
吡啶-(2-偶氮-4)间苯二酚
英文名称:
4-(2-PYRIDYLAZO)RESORCINOL
中文别名:
吡啶-(2-偶氮-4)间苯二酚;
4-2-吡啶偶氮间苯二酚;
4-(2-吡啶偶氮)间苯二酚(PAR);
(PAR)4-(2-吡啶偶氮)间苯二酚;
4-(2-吡啶偶氮)间苯二酚;
4-(2-吡啶基偶氮)间苯二酚;
4-(2-吡啶偶氮)-1,3-苯二酚;
4-(2-吡啶偶氮)间苯二酚
英文别名:
4-(2-PYRIDYLAZO)RESORCINOL;
4-[(E)-2-PYRIDYLAZO]BENZENE-1,3-DIOL;
1,3-BENZENEDIOL,4-[2-(2-PYRIDINYL)DIAZENYL]-;
PAR,REAGENT,ACS;
(2-PyridylAzo)Resorcinol;
P.A.R. Free Acid ACS;
4-(2-pyridyldiazenyl)benzene-1,3-diol;
ParIndicatorGr;
PAR,Reagent;
4-(2-Pyridylazo)resorcinol;
4-(Pyridin-2-yldiazenyl)benzene-1,3-diol;
4-(2-Pyridylazo)reso;
4-(2'-PYRIDYLAZO)-RESORCINOL;
4-(2'-PYRIDYLAZO)-RESORCINOL FOR SYNTHESIS;
PAR;
4-(2-PYRIDYLAZO) RESORCINOL;
4-(2-PYRIDYLAZO)-RESORCIN
精确分子量/精确质量:
215.06900
极性分子表面积/PSA:
78.07000
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:
MFCD00006256
EINECS:
214-528-6
PubChem:
24888070
BRN:
184665
InChI:
InChI=1/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H

生产制备方法及用途展开↓

制备方法


1.将2-氨基吡啶用尽可能少的无水乙醇溶解后与亚硝酸异戊酯混合,然后加入由金属钠与无水乙醇反应得到的醇钠溶液,加热回流2~3h。反应结束后,用冰冷却。再加入间苯二酚的乙醇溶液,通入二氧化碳进行偶合反应,反应完毕后,滤出试剂的二钠盐粗品,用乙醚洗涤,真空干燥后用1∶ 1的乙醇 水溶液重结晶2次,即得纯试剂4-(2- 吡啶偶氮) 间苯二酚。主要反应为:

合成制备方法


1. 将2-氨基吡啶用尽可能少的无水乙醇溶解后与亚硝酸异戊酯混合,然后加入由金属钠与无水乙醇反应得到的醇钠溶液,加热回流2~3h。反应结束后,用冰冷却。再加入间苯二酚的乙醇溶液,通入二氧化碳进行偶合反应,反应完毕后,滤出试剂的二钠盐粗品,用乙醚洗涤,真空干燥后用1∶ 1的乙醇 水溶液重结晶2次,即得纯试剂4-(2-吡啶偶氮)  间苯二酚。主要反应为:

用途简介


综合滴定指示剂。用作光度法测定 Bi3+ 、Pb2+ Co2+ 、 Ni2+ 、Fe3+、La3+Tn4+等离子的显色剂, EDTA配合滴定Al3+、 Ca2+ 、 ,Cu2+、 Ga7+等的金属指示剂。

用途


1.综合滴定指示剂。

2.用作光度法测定 Bi3+ 、Pb2+ Co2+ 、 Ni2+ 、Fe3+  、La3+Tn4+等离子的显色剂, EDTA配合滴定Al3+、 Ca2+ 、 ,Cu2+、 Ga7+等的金属指示剂。

物化性质展开↓

外观与性状:
橙色粉末
密度:
1.33 g/cm3
熔点:
192-202 °C(lit.)
沸点:
438.2ºC at 760 mmHg
闪点:
218.8°C
折射率:
1.652
蒸汽压:
2.73E-08mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

1.如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

2.与金属离子形成水溶性或不溶于水的配合物。配合物多数为红色或红紫色。

其它信息:

1.       性状:橙红色至褐色无定性粉末

安全信息展开↓

海关代码:
2933399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
危险标志:
Xi

化学图谱

  1. 4-2-吡啶偶氮间苯二酚红外图谱(IR1)

  2. 4-2-吡啶偶氮间苯二酚红外图谱(IR2)

  3. 4-2-吡啶偶氮间苯二酚质谱(MS)

  4. 4-2-吡啶偶氮间苯二酚核磁图(13CNMR)

  5. 4-2-吡啶偶氮间苯二酚核磁图(1HNMR)

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毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、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: 4-(2-Pyridylazo)Resorcinol 99% (Titr.) Material Safety Data Sheet
Synonym: PAR; 1,3-Benzenediol, 4-(2-Pyridinylazo)-
CAS: 1141-59-9
Section 1 - Chemical Product   MSDS Name:4-(2-Pyridylazo)Resorcinol 99% (Titr.) Material Safety Data Sheet
Synonym:PAR; 1,3-Benzenediol, 4-(2-Pyridinylazo)-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1141-59-9 4-(2-Pyridylazo)Resorcinol 99% 214-528-6
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 chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
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.
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.
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. 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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
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# 1141-59-9: 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 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: Powder
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 188 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H9N3O2
Molecular Weight: 215.21

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1141-59-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2-Pyridylazo)Resorcinol - 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
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:

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 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 1141-59-9: No information available.
Canada
CAS# 1141-59-9 is listed on Canada's NDSL List.
CAS# 1141-59-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1141-59-9 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:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:59.00

2、   摩尔体积(cm3/mol):161.3

3、   等张比容(90.2K):440.0

4、   表面张力(dyne/cm): 55.3

5、   介电常数:无可用

6、   偶极距(10-24cm3):无可用

7、   极化率:23.39

计算化学数据


1、   疏水参数计算参考值(XlogP):1.3

2、   氢键供体数量:2

3、   氢键受体数量:5

4、   可旋转化学键数量:2

5、   互变异构体数量:15

6、   拓扑分子极性表面积(TPSA):74.6

7、   重原子数量:16

8、   表面电荷:0

9、   复杂度:371

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:1

15、   共价键单元数量:1

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