3-乙基-2-甲基苯并唑对甲基苯磺酸酯

3-乙基-2-甲基苯并唑对甲基苯磺酸酯 基本信息
CAS号 14933-76-7 分子式 C17H19NO3S2
分子量 349.46800 精确质量  349.08100
PSA  97.70000 LogP  4.49700

基本信息 展开↓

CAS号:
14933-76-7
3D弹球模型:
立即前往扯扯看
分子式:
C17H19NO3S2
分子量:
349.46800
中文名称:
3-乙基-2-甲基苯并唑对甲基苯磺酸酯
英文名称:
3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE
中文别名:
3-乙基-2-甲基苯并唑对甲基苯磺酸酯;
3-乙基-2-甲基苯并噻唑对甲苯磺酸酯
英文别名:
3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE;
3-Ethyl-2-methylbenzothiazolium p-toluensulfonate;
3-ethyl-2-methyl-benzothiazolium,toluene-4-sulfonate;
3-ethyl-2-methylbenzothiazolium p-toluenesulphonate;
{CH3C7H4SNC2H5}{O3SC6H4CH3-p};
3-ethyl-2-methylbenzothiazolium 4-toluenesulfonate;
3-ethyl-2-methylbenzothiazol-3-ium tosylate;
3-ethyl-2-methyl-benzothiazoliusaltwith4-methylbenzenesulfonicacid(1:1;
3-ETHYL-2-METHYLBENZOTHIAZOLINIUM P-TOLUE-NESULFATE;
3-Aethyl-2-methyl-benzothiazolium,Toluol-4-sulfonat;
3-Ethyl-2-methylbenzoxazolium p-Toluenesulfonate;
3-ethyl-2-methyl-benzothiazolium p-toluenesulfonate;
2-methyl-3-ethyl-benzothiazolium tosylate
精确分子量/精确质量:
349.08100
极性分子表面积/PSA:
97.70000
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。
EINECS:
239-007-0
InChI:
The Key: NJSVJXQJFLLFCG-UHFFFAOYSA-M

物化性质展开↓

熔点:
155ºC
其它信息:

1. 性状:未确定

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);155

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:未确定

安全信息展开↓

海关代码:
2934999090
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。
S28:接触皮肤之后,立即使用大量皂液洗涤。

合成路线查看所有的合成路线

  • 120-75-2

    2-甲基苯并噻唑

  • +

  • 104-15-4

    对甲苯磺酸

  • +

  • 80-40-0

    对甲苯磺酸乙酯

  • ~99%

  • 14933-76-7

    3-乙基-2-甲基苯并唑对甲基苯磺酸酯

  • 120-75-2

    2-甲基苯并噻唑

  • +

  • 80-40-0

    对甲苯磺酸乙酯

  • 14933-76-7

    3-乙基-2-甲基苯并唑对甲基苯磺酸酯

MSDS 展开↓

Name: 3-Ethyl-2-Methylbenzothiazolinium P-Toluenesulfonate (Pract) 98% Material Safety Data Sheet
Synonym:
CAS: 14933-76-7
Section 1 - Chemical Product   MSDS Name:3-Ethyl-2-Methylbenzothiazolinium P-Toluenesulfonate (Pract) 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14933-76-7 Benzothiazolium, 3-Ethyl-2-Methyl-, Sa 239-007-0
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Dust is irritating to the respiratory tract. May cause respiratory tract irritation.
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 immediately.
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:
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 immediately.
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:

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 agent most appropriate to extinguish fire. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 14933-76-7: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 155 deg C
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: C17H19NO3S2
Molecular Weight: 349.46

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nickel oxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14933-76-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzothiazolium, 3-Ethyl-2-Methyl-, Salt with 4-Methylbenzene - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 14933-76-7: No information available.
Canada
CAS# 14933-76-7 is listed on Canada's NDSL List.
CAS# 14933-76-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14933-76-7 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:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. 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:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:349.080633 Da

8、标称质量:349 Da

9、平均质量:349.4677 Da

计算化学数据


1、 疏水参数计算参考值(XlogP):3.2

2、 氢键供体数量:0

3、 氢键受体数量:0

4、 可旋转化学键数量:1

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA3.9

7、 重原子数量:12

8、 表面电荷:1

9、 复杂度:160

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:1

上下游相关产品

上游产品

更多
  • 120-75-2

    2-甲基苯并噻唑

  • 80-40-0

    对甲苯磺酸乙酯

  • 104-15-4

    对甲苯磺酸

下游产品

更多
  • 25082-84-2

    3-ethyl-2-methylidene-1,3-benzothiazole

  • 34685-93-3

    3-ethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium,iodide

  • 35327-87-8

    (2E,4z)-4-(3-乙基-1,3-苯并噻唑-2(3h)-基)-1-苯基-2-丁烯-1-酮

  • 34719-10-3

    5-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-3-ene-1-carboxamide,iodide

  • 70677-52-0

    3-ethyl-2-[[3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-2,5,5-trimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole,iodide

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便