4887-42-7

4887-42-7结构式
4887-42-7结构式

化源商城直购

中文名 N-羟甲基-3,4,5,6-四氢邻苯二甲酰亚胺
英文名 N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide
中文别名 N-羟甲基-3,4,5,6-四氢酞亚胺
N-羟甲基-四羟基邻苯二胺
英文别名 MFCD00051728
n-hydroxymethyltetrahydrophthalimide
EINECS 225-500-8
4,5,6,7-Tetra
N-Hydroxymethyl-3,4,5,6-tetrahydro-o-phthalimide
TETRAMETHRIN ALCOHOL METABOLITE
N-methyloltetrahydrophthalimide
3,4,5,6-tetrahydro-phthalimidomethyl alcohol
Tetrahydrophthalimidomethanol
密度 1.37 g/cm3
沸点 359.3ºC at 760 mmHg
熔点 81-85 °C(lit.)
分子式 C9H11NO3
分子量 181.18900
精确质量 181.07400
PSA 57.61000
LogP 0.11350
外观性状 略黄色结晶粉末
折射率 1.596
储存条件

密封储存,储存于阴凉、干燥的库房。

稳定性 避免与不相容材料接触。 与强氧化剂,酸,酸性氯化物,二氧化碳,酸酐反应。
计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积57.6

7.重原子数量:13

8.表面电荷:0

9.复杂度:278

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

更多

1. 性状:浅黄色结晶性粉末

2. 密度(g/mL,25℃):1.460

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):80-84

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,11mmHg):未确定

7. 折射率(n20/D):未确定

8. 闪点(ºF):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(mPa,20ºC):未确定

12. 饱和蒸气压(kPa,25ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:微溶于水

Name: N-Hydroxymethyl-3,4,5,6-Tetrahydrophthalimide, 98% Material Safety Data Sheet
Synonym: None Known.
CAS: 4887-42-7
Section 1 - Chemical Product MSDS Name: N-Hydroxymethyl-3,4,5,6-Tetrahydrophthalimide, 98% Material Safety Data Sheet
Synonym: None Known.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4887-42-7 N-Hydroxymethyl-3,4,5,6-Tetrahydrophth 98% 225-500-8
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. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. 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.
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. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation.
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 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:
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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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# 4887-42-7: 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: Crystalline powder
Color: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 80-84 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: C9H11NO3
Molecular Weight: 181.0819
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.
Incompatibilities with Other Materials:
Acid anhydrides, acid chlorides, acids, oxidizing agents, carbon dioxide.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4887-42-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Hydroxymethyl-3,4,5,6-Tetrahydrophthalimide - 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 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# 4887-42-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4887-42-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4887-42-7 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/01/2000 Revision #3 Date: 3/04/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A
个人防护装备 Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
危害码 (欧洲) Xi: Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S37/39-S26
危险品运输编码 NONH for all modes of transport
WGK德国 3
【方法一】
胺醇是由丁二烯与顺丁二烯酸酐通过Diels-Aldor反应先制得1,2,3,6-四氢邻苯二甲酸酐(简称四氢苯酐或△4),然后由△4经异构化制得3,4,5,6-四氢邻苯二甲酸酐(简称△1),最后由△1通过氨化、羟甲基化而制得。
在反应器中加入3,4,5,6-四氢邻苯二甲酰亚胺、37%甲醛溶液、稀氢氧化钠溶液,以二氯乙烷为溶剂,搅拌加热回流,冷却分层进行后处理,减压蒸馏得黏稠状的粗胺醇,用甲苯重结晶,可得到纯度为97%的精胺醇。