脱氢硫代对甲苯胺单磺酸 | 130-17-6

• 物质功能分类: 有机原料 - 氨基化合物 - 磺酸类氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 脱氢硫代对甲苯胺单磺酸
• 中文别名: 2-对氨基苯基-6-甲基苯噻唑单磺酸；2-(4-氨基苯基)-6-甲基苯并噻唑-7-磺酸；脱氢硫代对甲苯胺-单-磺酸；2-对氨基苯基-6-甲基苯噻唑单(7)磺酸
• 英文名称: 2-(4-aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid
• 英文别名: 2-(4-aminophenyl)-6-methylbenzothiazole-7-sulfonic acid；2-(p-aminophenyl)-6-methyl-7-benzothiazole sulfonic acid；2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid；2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
• CAS: 130-17-6
• 化学式: C₁₄H₁₂N₂O₃S₂
• mdl: MFCD00043906
• 分子量: 320.393
• InChiKey: KGZUHYIHYBDNLC-UHFFFAOYSA-N

物化性质

• 熔点：
  300 °C
• 密度：
  1.3833 (rough estimate)
• 物理描述：
  2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid is a brownish-yellow powder. (NTP, 1992)
• 溶解度：
  less than 1 mg/mL at 72° F (NTP, 1992)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2934999090
• 储存条件：
  库房应保持通风、低温和干燥环境。

SDS

Name:	2-(4-Aminophenyl)-6-methyl-1 3-benzothiazole-7-sulfonic acid 97% Material Safety Data Sheet
Synonym:
CAS:	130-17-6

Section 1 - Chemical Product MSDS Name:2-(4-Aminophenyl)-6-methyl-1 3-benzothiazole-7-sulfonic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
130-17-6	2-(4-Aminophenyl)-6-methyl-1,3-benzoth	97%	204-979-7

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 130-17-6: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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: C14H12N2O3S2
Molecular Weight: 320.39

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 130-17-6: DL6420000 LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 130-17-6: 1
Canada
CAS# 130-17-6 is listed on Canada's DSL List.
CAS# 130-17-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 130-17-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用作染料中间体，尤其是合成纸用染料的重要中间体。 类别：有毒物品，属于高毒级别。

急性毒性：静脉注射小鼠的半数致死剂量（LD50）为178毫克/公斤。

可燃性危险特性：该物质可燃，并在燃烧时会产生有毒的氮氧化物和硫氧化物烟雾。

储运特性：应存放在通风、低温且干燥的库房中。

灭火剂：使用干粉、泡沫、砂土、二氧化碳或雾状水进行灭火。

反应信息

• 作为反应物：
  描述：

  脱氢硫代对甲苯胺单磺酸 生成 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)benzenediazonium;chloride
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烷,三氯氟- 在 sodium sulfide 、 三氧化硫 、 铁粉 作用下， 反应 10.2h， 生成 脱氢硫代对甲苯胺单磺酸
  参考文献：
  名称：

  一种水溶性苯并噻唑类染料的合成方法

  摘要：

  本发明公开了一种水溶性苯并噻唑类染料的合成方法，包括如下步骤：将对甲苯胺、硫化钠和催化剂混合后进行成环反应，生成2‑(4‑苯胺基)‑6‑甲基‑苯并噻唑；将2‑(4‑苯胺基)‑6‑甲基‑苯并噻唑和磺化剂进行磺化反应，生成2‑(4‑苯胺基)‑6‑甲基‑7‑磺酸基‑苯并噻唑；将2‑(4‑苯胺基)‑6‑甲基‑7‑磺酸基‑苯并噻唑(III)和氢氧化钠水溶液加入溶媒中，接着加入含羰基的化合物进行反应得到水溶性苯并噻唑类染料。本发明相对于现有技术，原料廉价易得，工艺简单、安全，环境友好，适合大规模工业化生产。

  公开号：

  CN105017797B

文献信息

• [EN] AZO DYES<br/>[FR] COLORANTS AZOÏQUES
  申请人：KEMIRA OYJ

  公开号：WO2012072634A1

  公开（公告）日：2012-06-07

  The present invention relates to new azo dyes, a process for their preparation, and their use for dyeing or printing fibrous materials, to produce materials with brownish shades.

  本发明涉及新的偶氮染料，其制备过程，以及它们用于染色或印花纤维材料以产生棕色调材料的用途。
• Amyloidosis and Alzheimer's disease diagnostic assay and reagents
  申请人：Salutar, Inc.

  公开号：US04933156A1

  公开（公告）日：1990-06-12

  The presence and location of amyloid deposits in an organ or body area of a patient is effected by intravenous administration of novel radioactive iodine-labeled amyloid binding compounds and preferably .sup.123 I-labeled compounds to the patient and sensing radiation emitted from the organ or body area. Novel non-radioactive iodine substituted amyloid binding compounds and amyloid binding compounds which are readily iodinated are further aspects of the invention.

  患者器官或身体区域中淀粉样沉积的存在和位置受到新型放射性碘标记的淀粉结合化合物以及最好是.sup.123 I标记的化合物通过静脉注射到患者体内，并感知从器官或身体区域发出的辐射。新型非放射性碘替代的淀粉结合化合物和易于碘化的淀粉结合化合物是本发明的另一个方面。
• 水溶性アゾ化合物又はその塩、インク組成物及び着色体
  申请人：日本化薬株式会社

  公开号：JP2016204436A

  公开（公告）日：2016-12-08

  【課題】保存安定性が高く、また記録画像の高い耐オゾン性を有するインクジェットインク用水溶性アゾ化合物、及びびそれを含有するイエローインク組成物の提供。【解決手段】一般式（１）で表される構造を、分子内に少なくとも１つ有し、分子内に少なくとも２つの水溶性置換基を有し、該水溶性置換基の数を分子量で除した値が０．００２８〜０．０２であることを特徴とするインクジェットインク用水溶性アゾ化合物又はその塩。ただし、水溶性置換基として、ヒドロキシ基は除く。（Ｒ１は、Ｃ３〜Ｃ１０のアルキル基；Ａｒは環構造の置換基）【選択図】なし

  提供保存稳定性高且具有高耐臭氧性的水溶性偶氮化合物，以及含有该偶氮化合物的黄色墨水组合物。该水溶性偶氮化合物或其盐具有一种由通式（1）表示的结构，在分子内至少有一个该结构，并且在分子内至少有两个水溶性取代基，其中该水溶性取代基的数量除以分子量的值为0.0028至0.02。其中，不包括羟基作为水溶性取代基。（其中，R1为C3至C10的烷基；Ar为环结构的取代基）【选择图】无
• [EN] HCV HELICASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE L'HÉLICASE DU VHC ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV KANSAS

  公开号：WO2013036749A1

  公开（公告）日：2013-03-14

  The present invention discloses thioflavine S and primuline derivatives which inhibit hepatitis C virus helicase and protease activity. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are useful as antiviral agents. The present invention further relates to pharmaceutical compositions containing the aforementioned compounds and methods of treating an HCV infection.

  本发明揭示了硫黄素S和原黄素衍生物，可抑制丙型肝炎病毒的解旋酶和蛋白酶活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并可用作抗病毒剂。本发明还涉及含有上述化合物的药物组合物和治疗HCV感染的方法。
• BLACK DISAZO DYES, THEIR PREPARATION AND USE
  申请人：BAETTIG Kurt

  公开号：US20120090503A1

  公开（公告）日：2012-04-19

  Black disazo dyes of general formula (V) wherein A is a moiety of formula (VI) or of formula (VII) and B is a moiety of formula (VIII) or of formula (IX) and wherein M, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , R 23 and R 24 are as defined in the specification, are excellent black dyes for dying and printing cellulose containing materials and textile materials and, in particular, for the preparation of recording liquids for ink jet printing and for writing utensils.

  通式（V）的黑色二氮基染料，其中A是式（VI）或式（VII）的基团，B是式（VIII）或式（IX）的基团，其中M、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21、R22、R23和R24如规范中定义，对于染色和印刷含纤维素材料和纺织品材料，特别是用于制备喷墨打印记录液和书写工具，是极好的黑色染料。