3-甲基磺酰苯胺盐酸盐 | 80213-28-1

• 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: 3-甲基磺酰苯胺盐酸盐
• 中文别名: 3-(甲基磺酰基)苯胺盐酸盐
• 英文名称: 3-methylsulfonylaniline hydrochloride
• 英文别名: 3-(methylsulphonyl)aniline hydrochloride；3-aminophenyl methyl sulfone hydrochloride；Hydron;3-methylsulfonylaniline;chloride
• CAS: 80213-28-1
• 化学式: C₇H₉NO₂S*ClH
• mdl: MFCD00216487
• 分子量: 207.681
• InChiKey: ZMPXGSYLKFAGOV-UHFFFAOYSA-N

物化性质

• 熔点：
  227-230 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2921420090
• 安全说明：
  S26,S37/39
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	3-Methylsulphonylaniline Hydrochloride 95+% Material Safety Data Sheet
Synonym:
CAS:	80213-28-1

Section 1 - Chemical Product MSDS Name:3-Methylsulphonylaniline Hydrochloride 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
80213-28-1	3-Methylsulphonylaniline Hydrochloride	95+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, and death.
Inhalation:
Causes respiratory tract irritation. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, tachycardia, dyspnea (labored breathing), and death. Can produce delayed pulmonary edema.
Chronic:
May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death. Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively. For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood.
Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia.

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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. Runoff from fire control or dilution water may cause pollution.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
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.

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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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 80213-28-1: 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 minimize contact with skin.
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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 227.00 - 230.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C7H9NO2S.HCl
Molecular Weight: 207.68

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, 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# 80213-28-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Methylsulphonylaniline Hydrochloride - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 80213-28-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 80213-28-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80213-28-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-甲基磺酰苯胺盐酸盐 在 三光气 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 生成 3-Methylsulfonyl-phenylisocyanat
  参考文献：
  名称：

  Bridged bicyclic amine derivatives useful as CCR-3 receptor antagonists

  摘要：

  具有以下化学式的化合物(I)，Ar—(F)(E)-(CR3R4)—(CHR5)m-(T)-(Q)-Ar1，可用作CCR-3受体拮抗剂，其中T是具有一个N原子和一个到两个桥头碳原子的桥接杂环基团；Ar和Ar1是芳基或杂环芳基；F是烷基，烯烃基或键；E是—C(═O)N(R10)—，—SO2N(R10)—，—N(R11)C(═O)N(R10O)—，—N(R11)SO2N(R10)—，—N(R11)C(═S)N(R10)—，—N(R11)C(═O)—，—N(R11)SO2—，—N(R12)C(═O)CH(R13)—或CH(R13)C(═O)N(R12)—；Q是—C(═O)—或C1-2烷基；R3，R4，R5，R9，R10，R11，R12和R13如规范中所述定义。

  公开号：

  US20040176416A1
• 作为产物：
  描述：

  3-乙酰氨基茴香硫醚 在 盐酸 、 乙醇 、 双氧水 、 溶剂黄146 作用下， 生成 3-甲基磺酰苯胺盐酸盐
  参考文献：
  名称：

  Zincke; Mueller, Chemische Berichte, 1913, vol. 46, p. 783

  摘要：

  DOI：

文献信息

• [EN] THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE<br/>[FR] DÉRIVÉS DE THIOPHÈNE POUR LE TRAITEMENT DE TROUBLES PROVOQUÉS PAR IGE
  申请人：UCB BIOPHARMA SRL

  公开号：WO2019243550A1

  公开（公告）日：2019-12-26

  Thiophene derivatives of formula (I) and a pharmaceutically acceptable salt thereof are provided. These compounds have utility for the treatment or prevention of disorders caused by IgE, such as allergy, type 1 hypersensitivity or familiar sinus inflammation.

  提供了公式（I）的噻吩衍生物及其药用可接受的盐。这些化合物对于治疗或预防由IgE引起的疾病具有用途，如过敏、1型超敏反应或家族性鼻窦炎。
• [EN] PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES<br/>[FR] COMPOSES PYRROLIQUES DESTINES AU TRAITEMENT DE MALADIES INDUITES PAR PROSTAGLANDINE
  申请人：GLAXO GROUP LTD

  公开号：WO2003101959A1

  公开（公告）日：2003-12-11

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein A, R1, R2a, R2b, Rx, R8, and R9 are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine, in particular their use in the treatment of prostaglandin mediated diseases such as pain, inflammatory, immunological, bone, neurodegenerative or renal disorder.

  式(I)的化合物或其药学上可接受的衍生物：其中A、R1、R2a、R2b、Rx、R8和R9如规范中所定义，一种制备这种化合物的方法，包括这种化合物的药物组合物以及这种化合物在医学中的用途，特别是它们在治疗前列腺素介导的疾病，如疼痛、炎症、免疫、骨骼、神经退行性或肾脏疾病中的用途。
• [EN] INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY<br/>[FR] INHIBITEURS D'ACTIVITÉ DE PROTÉINE TYROSINE KINASE
  申请人：METHYLGENE INC

  公开号：WO2009109035A1

  公开（公告）日：2009-09-11

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling. The invention also provides compounds, compositions and methods for treating cell proliferative diseases and conditions and opthalmological diseases, disorders and conditions.

  本发明涉及抑制蛋白质酪氨酸激酶活性的化合物。特别是，本发明涉及抑制生长因子受体的蛋白质酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如抑制VEGF受体信号传导。本发明还提供了用于治疗细胞增殖性疾病和状况以及眼科疾病、障碍和状况的化合物、组合物和方法。
• [EN] VIRAL REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE REPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2013045516A1

  公开（公告）日：2013-04-04

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，通过使用这些新化合物来预防或治疗动物的病毒感染的方法，以及将这些新化合物用作药物，更好地用于治疗或预防病毒感染，特别是感染RNA病毒，更特别是感染属于黄病毒科的病毒，更特别是感染登革病毒。本发明还涉及这些新化合物的药物组合或混合制剂，用作药物的组合或制剂，更好地用于预防或治疗病毒感染。该发明还涉及这些化合物的制备方法。
• Inhibitors of Protein Tyrosine Kinase Activity
  申请人：Raeppel Stëphane

  公开号：US20110257100A1

  公开（公告）日：2011-10-20

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling. The invention also provides compounds, compositions and methods for treating cell proliferative diseases and conditions and ophthalmic diseases, disorders and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。特别是，本发明涉及抑制生长因子受体的蛋白酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如，抑制VEGF受体信号传导。本发明还提供了用于治疗细胞增殖性疾病和条件以及眼科疾病、障碍和条件的化合物、组合物和方法。