2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐

2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐 基本信息
CAS号 30931-67-0 分子式 C18H24N6O6S4
分子量 548.68000 精确质量 　548.06400
PSA 　223.04000 LogP 　5.47820
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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 结构与计算数据

基本信息 展开↓

CAS号：
30931-67-0
3D弹球模型：
立即前往扯扯看
分子式：
C18H24N6O6S4
分子量：
548.68000
中文名称：
2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐
英文名称：
Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)
中文别名：
2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐;
2,2'-联氮基双-(3-乙基苯并噻唑啉-6-磺酸)二氨盐;
2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸铵盐);
2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐;
2,2’-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐;
2,2'-联氨-双(3-乙基苯并噻唑啉-6-磺酸)二胺盐
英文别名：
Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate);
AzBTS-(NH4)2;
ABTS substrate tablets;
ABTS-(NH4)2,PACKAGE WITH 50 TABLETS;
ABTS-(NH4)2;
ABTS(R),DIAMMONIUM SALT;
2,2'-(1,4-PHENYLENE)BIS-1H-BENZOTHIAZOLE;
diammonium 2,2'-azinobis(3-ethylbenzthiazoline-6-sulphonate);
2,2'-Azinobis(3-ethylbenzothiazolin-6-sulfonsaeure)diammoniumsalz;
2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt;
ABTS;
ABTS (diammonium salt);
ABTS SUBSTRATE;
AzBTS-(NH4)2/ABTS diaMMoniuM salt;
2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt;
2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt);
ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt)]
精确分子量/精确质量：
548.06400
极性分子表面积/PSA：
223.04000
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：
MFCD00010404
EINECS：
250-396-6
InChI：
InChI=1/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18+;;

生产制备方法及用途展开↓

用途

 

物化性质展开↓

外观与性状：
淡绿色粉末
沸点：
881.2ºC at 760mmHg
闪点：
486.7ºC
存储条件/存储方法：
通风低温干燥
稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应

其它信息：

1.         性状：块状

2.         密度（g/mL,20℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：未确定

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC, KPa）：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（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：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：H2O: 50 mg/mL

 

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：
R36/37/38
安全说明：
S26-S36
RTECS号：
DL7002000
危险标志：
Xi: Irritant;

化学图谱

  1. 2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐红外图谱(IR1)

  2. 2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐红外图谱(IR2)

  3. 2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐质谱(MS)

  4. 2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐核磁图(13CNMR)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7002000
CAS REGISTRY NUMBER :
30931-67-0
LAST UPDATED :
199410
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H16-N4-O6-S4.2H4-N
MOLECULAR WEIGHT :
548.72
WISWESSER LINE NOTATION :
T56 BNYSJ B2 GSWQ CUNNU- CT56 BNYSJ B2 GSWQ &ZH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Klebsiella pneumoniae
DOSE/DURATION :
11 gm/L
REFERENCE :
JIMMBG Journal of Immunological Methods. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1971- Volume(issue)/page/year: 36,55,1980
毒理学数据：

1、   致突变性：沙门氏菌微生物突变实验：100mg/L

              肺炎克雷伯氏菌微生物突变实验：11mg/L

 

生态数据：

若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Section I.Chemical Product and Company Identification
    Chemical Name        ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-    
    6-sulfonic Acid Ammonium Salt)] [for Biochemical
    Research]
    Portland OR
    Synonym        2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid    
    Ammonium Salt)
    Chemical Formula        C18H24N6O6S4    
    CAS Number        30931-67-0    
Section II.        Composition and Information on Ingredients    
    CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Chemical Name
    ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-        Min. 98.0 (N) Not available.        Not available.    
    30931-67-0
    6-sulfonic Acid Ammonium Salt)] [for Biochemical
    Research]
Section III. Hazards Identification
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    Acute Health Effects
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. COLD water may be used. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. COLD water may    
    be used.Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.
Section V.        Fire and Explosion Data    
    Not available.
    Auto-Ignition
    Flammability        May be combustible at high temperature.    
    Flammable Limits        Not available.    
    Flash Points        Not available.    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-
    6-sulfonic Acid Ammonium Salt)] [for Biochemical Research]
Section VI.        Accidental Release Measures    
    Spill Cleanup        Irritating Material.    
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    Instructions
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.
Section VII. Handling and Storage
    IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a
    Handling and Storage
    dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended    
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Not available.
    Exposure Limits
Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (Crystalline powder. White to slightly        Solubility        Soluble in cold water.    
    pale green.)
    Not available.
    Specific Gravity
    Molecular Weight        548.68        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Melting Point        300°C (572°F)        Vapor Density        Not available.    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    
Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.
Section XI. Toxicological Information
    RTECS Number        DL7002000    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye    
    is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
    occasionally, blistering.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-
    6-sulfonic Acid Ammonium Salt)] [for Biochemical Research]
Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.
Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        On DSL.    
    (Canada)
    EINECS Number (EEC) 250-396-6
    EEC Risk Statements
    R36/37/38- Irritating to eyes, respiratory system and skin.

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：2

3、   氢键受体数量：10

4、   可旋转化学键数量：3

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：148

7、   重原子数量：34

8、   表面电荷：0

9、   复杂度：883

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：2

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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