62642-62-0 (4-(4-甲基吗啉)苯甲酸,4-(Morpholinomethyl)benzoic acid)

CAS号:
62642-62-0
中文名称:
4-(4-甲基吗啉)苯甲酸
英文名称:
4-(Morpholinomethyl)benzoic acid
分子式:
C12H15NO3
分子量:
221.252403497696

4-(4-甲基吗啉)苯甲酸(62642-62-0)名称与标识符

名称

中文别名:
4-(4-甲基吗啉)苯甲酸;4-吗啉甲基苯甲酸;4-(吗啉甲基)苯甲酸;4-甲基吗啉苯甲酸;4-(4-吗啉基甲基)苯甲酸;
英文别名:
4-(Morpholinomethyl)benzoic acid;4-(4-Morpholinylmethyl)benzoic acid;4-(morpholin-4-ylmethyl)benzoic acid;4-Morpholin-4-ylmethyl-benzoic acid;4-morpholinomethylbenzoic acid;4-Morpholin-4-ylmethylbenzoic acid;4-(4-Morpholinemethyl)benzoic acid;Benzoic acid, 4-(4-morpholinylmethyl)-;BAS 01972126;CBMicro_000050;Oprea1_335852;Oprea1_860033;alpha-morpholinoparatoluic acid;DT;SCHEMBL426993;SMSF0005839;CS-W001865;AM87105;MFCD01167722;AKOS000104136;J-513786;62642-62-0;4-(morpholinomethyl)benzoic acid, AldrichCPR;4-(morpholinomethyl)benzoicacid;QYBXZYYECZFQRX-UHFFFAOYSA-N;A856992;4-[(morpholin-4-yl)methyl]benzoic acid;Z56346906;EN300-40672;Benzoicacid,4-(4-morpholinylmethyl)-;FT-0698701;3-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONICACID;CCG-202966;SY040868;CB01209;DTXSID80351562;AS-5309;SDCCGMLS-0066078.P001;BIM-0000119.P001;BBL002374;STK257557;

标识符

MDL:
MFCD01167722
InChIKey:
QYBXZYYECZFQRX-UHFFFAOYSA-N
Inchi:
1S/C12H15NO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
SMILES:
O1CCN(CC2C=CC(C(=O)O)=CC=2)CC1

4-(4-甲基吗啉)苯甲酸(62642-62-0)物化性质

实验特性

  • LogP : 1.15490
  • PSA : 49.77000
  • 折射率 : 1.58
  • 沸点 : 369.8±32.0 °C at 760 mmHg
  • 熔点 : 182-183 ºC
  • 闪点 : 177.4±25.1 °C
  • 溶解度 : 略溶 (19 g/L) (25 ºC),
  • 颜色与性状 : 奶油色或者白色粉末。
  • 溶解性 : 不能溶于水。
  • 敏感性 : Hygroscopic
  • 密度 : 1.233±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 221.10500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 221.105193
  • 重原子数量 : 16
  • 复杂度 : 230
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 49.8

4-(4-甲基吗啉)苯甲酸(62642-62-0)安全信息

4-(4-甲基吗啉)苯甲酸(62642-62-0)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(4-甲基吗啉)苯甲酸(62642-62-0)推荐厂家 更多厂家(21)

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4-(4-甲基吗啉)苯甲酸(62642-62-0)上下游

4-(4-甲基吗啉)苯甲酸(62642-62-0) MSDS

基础信息

Name:4-(Morpholinomethyl)benzoic acid Material Safety Data Sheet
Synonym:None Known
CAS:62642-62-0
Section 1 - Chemical Product ? MSDS Name:4-(Morpholinomethyl)benzoic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
62642-62-04-(Morpholinomethyl)benzoic acid97+unlisted
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. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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.
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:
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:
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.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
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# 62642-62-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 180.3-181.3 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: C12H15O3N
Molecular Weight: 221.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 62642-62-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Morpholinomethyl)benzoic acid - 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 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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# 62642-62-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62642-62-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62642-62-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A