63149-16-6 (5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸,5-chloro-3-ethyl-2-methylbenzodthiazol-3-ium 4-methylbenzenesulfonate)

快速询单

结构式：

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸MOL文件

CAS号：

63149-16-6

中文名称：

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸

英文名称：

5-chloro-3-ethyl-2-methylbenzodthiazol-3-ium 4-methylbenzenesulfonate

分子式：

C₁₀H₁₁NSCl+.C₇H₇O₃S-

分子量：

383.91272

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)名称与标识符

名称

中文别名：

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸;5-氯-3-乙基-2-甲基苯并噻唑对甲苯磺酸盐;

英文别名：

5-Chloro-3-ethyl-2-methylbenzothiazolium p-toluenesulfonate;5-Chloro-3-ethyl-2-MethylbenzothiazoliuM p-toluenesulfonate, pract.;NULL;2-methyl-3-ethyl-5-chlorobenzothiazolium p-toluenesulfonate;5-chloro-3-ethyl-2-methylbenzothiazol-3-ium toluene-4-sulphonate;5-chloro-3-ethyl-2-methylbenzothiazolium p-toluenesulphonate;5-chloro-3-ethyl-2-methyl-benzothiazolium,toluene-4-sulfonate;5-chloro-3-ethyl-2-methyl-benzothiazoliusaltwith4-methylbenzenesulfonic;5-chloro-3-ethyl-2-methylbenzodthiazol-3-ium 4-methylbenzenesulfonate;

标识符

InChIKey：

GYXTWUJZURSNCF-UHFFFAOYSA-M

Inchi：

InChI=1S/C10H11ClNS.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

SMILES：

CC[N+]1=C(C)SC2=C1C=C(C=C2)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)物化性质

实验特性

LogP : 5.15040
PSA : 97.70000
颜色与性状 : 无可用
溶解性 : 无可用

计算特性

精确分子量 : 383.04200
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
重原子数量 : 24
复杂度 : 188
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.8
表面电荷 : 1
拓扑分子极性表面积 : 3.9

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)安全信息

安全说明： 24/25

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)海关数据

海关编码：

2934999090

海关数据：

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

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)推荐厂家更多厂家(3)

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江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6)上下游

5-氯-2-甲基苯并噻唑对甲苯磺酸乙酯

5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸(63149-16-6) MSDS

基础信息

Name:	5-Chloro-3-Ethyl-2-Methylbenzothiazolium P-Toluenesulfonate (Pract) Material Safety Data Sheet
Synonym:	None
CAS:	63149-16-6

Section 1 - Chemical Product ? MSDS Name:5-Chloro-3-Ethyl-2-Methylbenzothiazolium P-Toluenesulfonate (Pract) Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
63149-16-6	Benzothiazolium, 5-chloro-3-ethyl-2-me	95	263-959-6

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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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:

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. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 63149-16-6: 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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H18ClNO3S2
Molecular Weight: 383.91

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:
Chlorine, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, chloride fumes, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 63149-16-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzothiazolium, 5-chloro-3-ethyl-2-methyl- - 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.
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# 63149-16-6: No information available.
Canada
CAS# 63149-16-6 is listed on Canada's NDSL List.
CAS# 63149-16-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63149-16-6 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A