2-(氯磺酰基)苯甲酸甲酯 | 26638-43-7

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 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: 2-(氯磺酰基)苯甲酸甲酯
• 中文别名: 2-（氯磺酰）苯甲酸甲酯；2-甲氧羰基苯磺酰氯；邻氯磺酰基苯甲酸甲酯；邻磺酰氯苯甲酸甲酯；2-(氯代磺酰基)苯甲酸甲酯；2-(磺酰氯)苯甲酸甲酯；2-磺酰氯苯甲酸甲酯；2-氯磺酰基苯甲酸甲酯
• 英文名称: 2-methoxycarbonylbenzenesulfonyl chloride
• 英文别名: methyl 2-(chlorosulfonyl)benzoate；methyl 2-chlorosulfonylbenzoate
• CAS: 26638-43-7
• 化学式: C₈H₇ClO₄S
• mdl: MFCD00009797
• 分子量: 234.66
• InChiKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N

物化性质

• 熔点：
  62-63 °C
• 沸点：
  344.8±25.0 °C(Predicted)
• 密度：
  1.4452 (estimate)
• 稳定性/保质期：
  如果按照规格正确使用和储存，则不会分解。避免接触水分、潮湿、氧化物以及碱性物质。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S22,S26,S30,S36/37/39,S45
• 危险类别码：
  R14,R34,R29
• 海关编码：
  2916399090
• 危险品运输编号：
  3261
• 危险类别：
  8
• 包装等级：
  III
• 危险性防范说明：
  P260,P280,P303+P361+P353,P301+P330+P331,P304+P340+P310,P305+P351+P338+P310
• 危险性描述：
  H314
• 储存条件：
  | 0-6℃ |

SDS

Name:	Methyl 2-(chlorosulfonyl)benzoate tech. 90% Material Safety Data Sheet
Synonym:	CB
CAS:	26638-43-7

Section 1 - Chemical Product MSDS Name:Methyl 2-(chlorosulfonyl)benzoate tech. 90% Material Safety Data Sheet
Synonym:CB

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26638-43-7	Methyl 2-(chlorosulfonyl)benzoate, tec	90.0	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract.
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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. 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 breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Antidote: None reported.

---

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:
Do NOT use water directly on fire. Use foam, dry chemical, or carbon dioxide.

---

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, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Keep containers tightly closed.

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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# 26638-43-7: 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: Solid
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 59.00 - 64.00 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: C8H7ClO4S
Molecular Weight: 234.65

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26638-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-(chlorosulfonyl)benzoate, tech. - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

---

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 26638-43-7: No information available.
Canada
CAS# 26638-43-7 is listed on Canada's NDSL List.
CAS# 26638-43-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26638-43-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质
市售品的熔点为59-64℃（90%工业级）。

用途
该产品是糖精钠的重要中间体。

生产方法
由邻氨基苯甲酸甲酯经重氮化、置换和氯化制备而成。具体步骤如下：首先将邻氨基苯甲酸甲酯与亚硝酸钠溶液混合均匀，然后滴加到10℃左右的硫酸和盐酸混合液中，并控制反应温度不超过25℃，搅拌反应至碘化钾淀粉液呈淡紫色。接下来，将此重氮液冷却至10℃，加入硫酸铜使其全部溶解后通入二氧化硫，保持温度在约24℃，反应约1小时后，会有邻亚磺酸苯甲酸甲酯析出。继续反应3小时后，使用H酸试纸测试无色即为置换终点。随后，向其中加入甲苯，在30-35℃下通入氯气至终点（以2%联苯胺乙醇试液显深墨绿色为准）。最后静置，分取有机层，脱溶后即得成品。

反应信息

• 作为反应物：
  描述：

  2-(氯磺酰基)苯甲酸甲酯 以 苯 为溶剂， 生成 N-(2-thiazolyl)-N'-methyl-N'-(2'-methoxycarbonylbenzenesulfonyl)glycineamide
  参考文献：
  名称：

  Isoxazole intermediate compounds

  摘要：

  一种合成N-芳基-3,4-二氢-2-烷基-4-酮基-2H-1,2-苯并噻嗪-3-羧酰胺-1,1-二氧化物的方法，通过将N-芳基-N'-烷基-N'-(2'-烷氧羰基苯磺酰)甘氨酰胺（该方法中有用的中间体）与碱金属或碱土金属氢化物在反应惰性溶剂中在50度至150度之间处理而得，所述产物是抗炎药。

  公开号：

  US03954786A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 二氧化硫 、 copper(l) chloride 作用下， 生成 2-(氯磺酰基)苯甲酸甲酯
  参考文献：
  名称：

  Meerwein et al., Chemische Berichte, 1957, vol. 90, p. 841,843

  摘要：

  DOI：

文献信息

• N'-(substituted-pyrimidin-2-yl)
  申请人：Bayer Aktiengesellschaft

  公开号：US04725303A1

  公开（公告）日：1988-02-16

  Herbicidally active guanidine derivatives of the formula ##STR1## in which m represents the numbers zero, 1 or 2, R.sup.5 represents an optionally substituted radical from the series comprising alkyl, aralkyl, aryl and heteroaryl, R.sup.2 represents a pyrimidin-2-yl radical which is substituted by halogen, amino, cyano or formyl and/or by optionally substituted radicals from the series comprising alkyl, alkoxy, alkylamino, dialkylamino, alkylcarbonyl and alkoxycarbonyl, R.sup.3 represents hydrogen, an optionally substituted radical from series comprising alkyl, cycloalkyl, alkenyl, alkinyl and aralkyl, R.sup.9 represents hydrogen or optionally substituted alkyl and R.sup.10 represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, aralkyl, aryl, heteroaryl, alkyl- or alkoxycarbonyl and alkyl- or arylsulphonyl, or R.sup.9 and R.sup.10 together represent alkanediyl which is optionally interrupted by an oxygen atom; and M represents hydrogen, one equivalent of a metal, or an ammonium radical which is optionally substituted by alkyl, alkenyl, alkinyl and/or aralkyl, or--in the case in which M is bonded to the same nitrogen atom as R.sup.2 --also represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl and aralkyl, or acid adducts thereof.

  草甘膦活性的胍衍生物的化学式为##STR1##其中m代表0、1或2，R.sup.5代表从包括烷基、芳基烷基、芳基和杂环烷基的系列中选择性取代的基团，R.sup.2代表通过卤素、氨基、氰基或甲酰基取代的嘧啶-2-基团和/或通过包括烷基、烷氧基、烷基氨基、二烷基氨基、烷基羰基和烷氧羰基的系列中选择性取代的基团，R.sup.3代表氢、通过包括烷基、环烷基、烯基、炔基和芳基烷基的系列中选择性取代的基团，R.sup.9代表氢或选择性取代的烷基，R.sup.10代表通过包括烷基、烯基、炔基、环烷基、芳基烷基、芳基、杂环烷基、烷基或烷氧羰基和烷基或芳基磺酰基的系列中选择性取代的基团，或R.sup.9和R.sup.10一起代表通过氧原子选择性中断的烷二基；M代表氢、一个金属的一个当量或通过烷基、烯基、炔基和/或芳基烷基选择性取代的铵基，或者--在M与R.sup.2结合到同一氮原子的情况下--也代表通过包括烷基、烯基、炔基和芳基烷基的系列中选择性取代的基团，或其酸盐。
• Process for the preparation of N'-sulphonyl- and
  申请人：Bayer Aktiengesellschaft

  公开号：US04797484A1

  公开（公告）日：1989-01-10

  A process for the preparation of a guanidine derivative of the formula ##STR1## in which R.sup.1 represents hydrogen or the radical R.sup.5 --S(O).sub.m --, m represents the numbers zero, 1 or 2 and R.sup.5 represents an optionally substituted radical from the series comprising alkyl, aralkyl, aryl and heteroaryl, R.sup.2 represents a six-membered aromatic heterocyclic structure which contains at least one nitrogen atom and is substituted, and R.sup.8 represents an optionally substituted radical from the series comprising C.sub.1 -C.sub.6 -alkyl, alkenyl, alkinyl, cycloalkyl, phenylalkyl and aryl, which comprises reacting a guanidine derivative of the formula ##STR2## with one or two molar equivalent(s), respectively, of a halogen/sulphur compound of the formula R.sup.5 --S(O).sub.m --X.sup.1 in which X.sup.1 represents fluorine, chlorine or bromine. The compounds are herbicidally active.

  一种制备公式##STR1##的胍啶衍生物的方法，其中R.sup.1代表氢或基团R.sup.5--S(O).sub.m--，m代表数字零、1或2，R.sup.5代表一种可选择取代的基团，包括烷基、芳基烷基、芳基和杂环芳基，R.sup.2代表含有至少一个氮原子的六元芳香杂环结构，且被取代，R.sup.8代表一种可选择取代的基团，包括C.sub.1-C.sub.6-烷基、烯基、炔基、环烷基、苯基烷基和芳基，所述方法包括将公式##STR2##的胍啶衍生物与公式R.sup.5--S(O).sub.m--X.sup.1的卤素/硫化合物的一个或两个摩尔当量反应，其中X.sup.1代表氟、氯或溴。这些化合物具有除草活性。
• Substituted guanidine derivatives
  申请人：Bayer Aktiengesellschaft

  公开号：US04880932A1

  公开（公告）日：1989-11-14

  A plant growth regulating compound of the formula ##STR1## in which R.sup.2 is an optionally substituted nitrogen heterocyclic radical, R.sup.3 is hydrogen, alkyl, cycloalkyl, alkenyl, alkinyl or aralkyl, and R.sup.4 is hydrogen, or if R.sup.3 is not hydrogen R.sup.4 may be hydroxyl or a variety of radicals, or R.sup.3 and R.sup.4 together may form a ring, or an acid adduct thereof.

  该公式中的一种植物生长调节化合物为##STR1##，其中R.sup.2是一个可选择取代的氮杂环辐射基团，R.sup.3是氢、烷基、环烷基、烯基、炔基或芳基，R.sup.4是氢，或者如果R.sup.3不是氢，则R.sup.4可以是羟基或各种基团，或者R.sup.3和R.sup.4一起可以形成一个环，或其酸加合物。
• Hydrazines and Azides via the Metal-Catalyzed Hydrohydrazination and Hydroazidation of Olefins
  作者：Jérôme Waser、Boris Gaspar、Hisanori Nambu、Erick M. Carreira

  DOI：10.1021/ja062355+

  日期：2006.9.1

  which the H and the N atoms come from two different reagents, a silane and an oxidizing nitrogen source (azodicarboxylate or sulfonyl azide). The hydrohydrazination reaction using di-tert-butyl azodicarboxylate is characterized by its ease of use, large functional group tolerance, and broad scope, including mono-, di-, tri-, and tetrasubstituted olefins. Key to the development of the hydroazidation

  报道了 Co 和 Mn 催化的烯烃加氢肼和加氢叠氮化反应的发现、研究和实施。这些反应等效于 CC 双键与受保护的肼或偶氮酸的直接加氢胺化，但基于不同的概念，其中 H 和 N 原子来自两种不同的试剂，硅烷和氧化性氮源（偶氮二羧酸或磺酰叠氮化物） ）。使用偶氮二羧酸二叔丁酯的加氢肼反应具有使用方便、官能团耐受性大、适用范围广的特点，包括单、二、三和四取代烯烃。氢叠氮化反应发展的关键是使用磺酰叠氮化物作为氮源和叔丁基过氧化氢的活化作用。发现该反应对于单、二和三取代烯烃的官能化是有效的，并且只有少数官能团是不能容忍的。获得的烷基叠氮化物是通用中间体，可以在不分离叠氮化物的情况下转化为游离胺或三唑。初步的机理研究表明，烯烃的氢化钴是限速的，然后是胺化反应。不能排除并可能涉及自由基中间体。然后进行胺化反应。不能排除并可能涉及自由基中间体。然后进行胺化反应。不能排除并可能涉及自由基中间体。
• [EN] CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS<br/>[FR] DÉRIVÉS DE CINNOLINE UTILES EN TANT QU'AGONISTES INVERSES DE RÉCEPTEURS CB-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016115013A1

  公开（公告）日：2016-07-21

  The present invention is directed to cinnoline derivatives of formula (I) pharmaceutical compositions containing them and their use in the treatment of disorders and conditions mediated by the CB-1 receptor; more particularly, use in the treatment of disorders and conditions responsive to inverse agonism of the CB-1 receptor. More particularly, the compounds of the present invention are useful in the treatment of metabolic disorders.

  本发明涉及公式（I）的喹啉衍生物，含有它们的药物组合物以及它们在治疗由CB-1受体介导的疾病和症状中的应用；更具体地，在治疗对CB-1受体的反向激动作用响应的疾病和症状中的应用。更具体地说，本发明的化合物在治疗代谢性疾病中是有用的。

表征谱图