2-[(4-甲基苯基)硫代]-5-硝基苯甲醛 | 175278-42-9

• 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-[(4-甲基苯基)硫代]-5-硝基苯甲醛
• 英文名称: 5-nitro-2-p-tolylsulfanyl-benzaldehyde
• 英文别名: 5-Nitro-2-p-tolylmercapto-benzaldehyd；2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde；2-(4-methylphenyl)sulfanyl-5-nitrobenzaldehyde
• CAS: 175278-42-9
• 化学式: C₁₄H₁₁NO₃S
• mdl: MFCD00173708
• 分子量: 273.312
• InChiKey: UTYFHCKVUPSOLA-UHFFFAOYSA-N

物化性质

• 熔点：
  157 °C
• 沸点：
  429.2±45.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090

SDS

Name:	2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	175278-42-9

Section 1 - Chemical Product MSDS Name:2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175278-42-9	2-[(4-Methylphenyl)thio]-5-nitrobenzal	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Store under nitrogen.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175278-42-9: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 155 - 157 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: C14H11NO3S
Molecular Weight: 273

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175278-42-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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.
WGK (Water Danger/Protection)
CAS# 175278-42-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175278-42-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175278-42-9 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：

  2-[(4-甲基苯基)硫代]-5-硝基苯甲醛 在 五氯化磷 作用下， 生成 α,α-Dichlor-5-nitro-2-(toluol-4-mercapto)-toluol
  参考文献：
  名称：

  536. o-芳基亚磺酰基苯甲醛

  摘要：

  DOI：

  10.1039/jr9640002801
• 作为产物：
  描述：

  4-甲苯硫酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 生成 2-[(4-甲基苯基)硫代]-5-硝基苯甲醛
  参考文献：
  名称：

  759.硫磺的挤出。第二部分 菲啶衍生物的新途径

  摘要：

  DOI：

  10.1039/jr9570003818

文献信息

• Campbell et al., Journal of the Chemical Society, 1941, p. 747,749
  作者：Campbell et al.

  DOI：——

  日期：——
• Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45
  作者：Scott A. Beers、Elizabeth A. Malloy、Wei Wu、Michael P. Wachter、Uma Gunnia、Druie Cavender、Crafford Harris、Janet Davis、Ruth Brosius、J.Lee Pellegrino-Gensey、John Siekierka

  DOI：10.1016/s0968-0896(97)00174-0

  日期：1997.12

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.
• TELOMERASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Geron Corporation

  公开号：EP1109796A1

  公开（公告）日：2001-06-27
• US6518268B1
  申请人：——

  公开号：US6518268B1

  公开（公告）日：2003-02-11
• [EN] TELOMERASE INHIBITORS AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE TELOMERASE ET LEURS PROCEDES D'UTILISATION
  申请人：GERON CORP

  公开号：WO2001002377A1

  公开（公告）日：2001-01-11

  Thiazolidinedione compounds, compositions, and methods of inhibiting telomerase activity in vitro and treatmnet of telomerase mediated conditions or diseases ex vivo and in vivo are provided. The methods, compounds and compositions of the invention may be employed alone, or in combination with other pharmacologically active agents in the treatment of conditions or diseases mediated by telomerase activity, such as in the treatment of cancer. Also disclosed are novel methods for assaying or screening for inhibitors of telomerase activity.