5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸 | 63149-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 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: 2-methyl-3-ethyl-5-chlorobenzothiazolium p-toluenesulfonate
• 英文别名: 5-chloro-3-ethyl-2-methyl-benzothiazolium; toluene-4-sulfonate；5-chloro-3-ethyl-2-methylbenzothiazolium p-toluenesulfonate；5-chloro-3-ethyl-2-methylbenzothiazol-3-ium toluene-4-sulphonate；Benzothiazolium, 5-chloro-3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)；5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
• CAS: 63149-16-6
• 化学式: C₇H₇O₃S*C₁₀H₁₁ClNS
• 分子量: 383.92
• InChiKey: GYXTWUJZURSNCF-UHFFFAOYSA-M

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

SDS

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

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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.

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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.

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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:

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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.

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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.

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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.)

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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.

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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

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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

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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.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,1,3,3-四乙氧基丁烷 、 5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸 以 吡啶 为溶剂， 生成 1,5-bis-(3-ethyl-5-chloro-benzothiazol-2-yl)-2-methyl-pentamethinium; toluene-4-sulfonate
  参考文献：
  名称：

  Kazymov,A.V.; Shchelkina,E.P., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 2038 - 2039

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯-2-甲基苯并噻唑 、 对甲苯磺酸乙酯 反应 0.25h， 生成 5-氯-3-乙基-2-甲基苯并噻二唑对甲苯磺酸
  参考文献：
  名称：

  Mistr,A. et al., Collection of Czechoslovak Chemical Communications, 1971, vol. 36, p. 150 - 163

  摘要：

  DOI：

文献信息

• Heat-developable photographic materials
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04713316A1

  公开（公告）日：1987-12-15

  A heat-developable photographic material having improved preservability, which comprises a support having thereon at least one heat-developable photographic layer, said photographic material containing a dye represented by formula (I) ##STR1## wherein n and m each represents 0, 1, 2 or 3; p and q each represents 0 or 1; L represents a methine group or a substituted methine group; R.sub.1 and R.sub.2 are same or different and each represents an unsubstituted or substituted alkyl group; R.sub.3 and R.sub.4 are same or different and each represents a hydrogen atom, an alkyl group, an alkoxy group, a hydroxyl group, an unsubstituted or substituted amino group or a halogen atom; or said R.sub.3 and R.sub.4 form a condensed 6-membered ring; Z and Z' are same or different and each represents a non-metallic atomic group necessary for forming a substituted or unsubstituted 5-membered or 6-membered ring, or substituted or unsubstituted 5-membered or 6-membered ring which is condensed with another ring; X.sup..crclbar. represents an anion; r represents 1 or 2, and when the dye forms an internal salt, r is 1.

  具有改良保鲜性的热显影照相材料，包括具有至少一层热显影照相层的支持，该照相材料含有由式（I）表示的染料 其中n和m分别表示0，1，2或3；p和q分别表示0或1；L表示亚甲基基团或取代的亚甲基基团；R1和R2相同或不同，且各自表示未取代或取代的烷基基团；R3和R4相同或不同，且各自表示氢原子，烷基基团，烷氧基，羟基，未取代或取代的氨基或卤素原子；或R3和R4形成一个紧密的6元环；Z和Z'相同或不同，且各自表示形成取代或未取代的5元环或6元环所必需的非金属原子基团，或与另一个环紧密结合的取代或未取代的5元环或6元环；X.sup..crclbar.表示阴离子；r表示1或2，当染料形成内盐时，r为1。
• Monich, N. V.; Vompe, A. F.; Makin, S. M., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 996 - 999
  作者：Monich, N. V.、Vompe, A. F.、Makin, S. M.、Shavrygina, O. A.、Levkoev, I. I.

  DOI：——

  日期：——
• Jeffreys,R.A., Journal of the Chemical Society, 1963, p. 5824 - 5831
  作者：Jeffreys,R.A.

  DOI：——

  日期：——
• Reaction of benzoylacetaldehyde tetraethylacetal with quaternary salts of nitrogen-containing heterocyclic bases
  作者：A. V. Kazymov、E. P. Shchelkina

  DOI：10.1007/bf00479953

  日期：1971.10
• MONICH, N. V.;VOMPE, A. F.;MAKIN, S. M.;SHAVRYGINA, O. A.;LEVKOEV, I. I., ZH. ORGAN. XIMII, 1985, 21, N 5, 1093-1097
  作者：MONICH, N. V.、VOMPE, A. F.、MAKIN, S. M.、SHAVRYGINA, O. A.、LEVKOEV, I. I.

  DOI：——

  日期：——