非那米柳

非那米柳 基本信息
CAS号 133-11-9 分子式 C13H11NO3
分子量 229.23100 精确质量  229.07400
PSA  72.55000 LogP  2.77480

基本信息 展开↓

CAS号:
133-11-9
3D弹球模型:
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分子式:
C13H11NO3
分子量:
229.23100
中文名称:
非那米柳
英文名称:
Phenyl-4-aminosalicylate
中文别名:
非那米柳;
4-氨基水杨酸苯酯;
非那米沙
英文别名:
Phenyl-4-aminosalicylate;
Phenyl-PAS-Tebamin;
phenyl-p-aminosalicylate;
p-Aminosalol;
Tebamin;
fenamisal;
phenyl 4-aminosalicylate;
4-Amino-2-hydroxy-benzoesaeure-phenylester;
Tebanyl;
Phenyl-4-aminosalicy;
4-amino-2-hydroxy-benzoic acid phenyl ester;
Pheny-PAS-Tebamin;
PHENYL PAS
精确分子量/精确质量:
229.07400
极性分子表面积/PSA:
72.55000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00007788
EINECS:
205-092-8
InChI:
InChI=1/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2

物化性质展开↓

外观与性状:
白色
密度:
1.32g/cm3
熔点:
150-152 °C(lit.)
沸点:
406.4ºC at 760mmHg
闪点:
199.6ºC
折射率:
1.659
蒸汽压:
3.48E-07mmHg at 25°C

安全信息展开↓

海关代码:
2922509090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 39614-82-9

    2-hydroxy-4-nitrobenzoyl chloride

  • 133-11-9

    非那米柳

  • 117869-04-2

    2-hydroxy-4-sulfinylamino-benzoyl chloride

  • +

  • 108-95-2

    苯酚

  • 133-11-9

    非那米柳

  • 65-49-6

    4-氨基水杨酸

  • +

  • 108-95-2

    苯酚

  • 133-11-9

    非那米柳

化学图谱

  1. 对氨基水杨酸苯酯红外图谱(IR1)

  2. 对氨基水杨酸苯酯红外图谱(IR2)

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MSDS 展开↓

Name: Phenyl 4-Aminosalicylate 99% Material Safety Data Sheet
Synonym: Phenyl PAS; 4-Amino-2-Hydroxybenzoic Acid Phenyl Ester
CAS: 133-11-9
Section 1 - Chemical Product   MSDS Name:Phenyl 4-Aminosalicylate 99% Material Safety Data Sheet
Synonym:Phenyl PAS; 4-Amino-2-Hydroxybenzoic Acid Phenyl Ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
133-11-9 Phenyl 4-Aminosalicylate 99% 205-092-8
Hazard Symbols: XI
Risk Phrases: 36/37/38

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.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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. 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 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:
Treat symptomatically and supportively.

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.

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.

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.

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# 133-11-9: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150.00 - 152.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 0.7mg/100ml
Specific Gravity/Density:
Molecular Formula: C13H11NO3
Molecular Weight: 229.23

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:
Acid anhydrides, acid chlorides, acids, chloroformates, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 133-11-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Phenyl 4-Aminosalicylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

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

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.

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 133-11-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 133-11-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 133-11-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922509090

概述:
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:64.01

2、  摩尔体积(cm3/mol):173.5

3、  等张比容(90.2K):485.5

4、  表面张力(dyne/cm):61.2

5、  极化率(10-24cm3):25.37

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:12

6.拓扑分子极性表面积72.6

7.重原子数量:17

8.表面电荷:0

9.复杂度:263

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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