2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 基本信息

中文名称:
2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 
中文别名:
2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯;
2,4,4,6-四甲基-1-噁-3-氮杂-2-环己烯;
5,6-二氢-2,4,4,6-四甲基-1,3(4H)-噁嗪;
5,6-二氢-2,4,4,6-四甲基-4H-1,3-恶嗪 
英文名称:
4H-1,3-Oxazine,5,6-dihydro-2,4,4,6-tetramethyl-
英文别名:
2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine;
4H-1,3-Oxazine,5,6-dihydro-2,4,4,6-tetramethyl;
5,6-Dihydro-2,4,4,6-tetramethyl-4H-1,3-oxazine;
5,6-DIHYDRO-2,4,4,6-TETRAMETHYL-4H-1,3-OXAZINE;
2,4,4,6-Tetramethyl-1-oxa-3-aza-2-cyclohexene;
2,4,4,6-Tetramethyl-5,6-dihydro-4H-1,3-oxazine;
2,4,4,6-Tetramethyl-4,5-dihydro-1,3-oxazine 
CAS No.:
26939-18-4
分 子 式:
C8H15NO
分 子 量:
141.21
精确分子量:
141.11500
PSA:
21.59000
MDL:
MFCD00014605
EINECS:
248-117-8
BRN:
111529
InChI:
The Key: LZSGJOXDYPFFQB-UHFFFAOYSA-N
风险术语:
10
安全术语:
S24/25;
分子结构式:
SDS:
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2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 制备方法及用途

制备方法

1.在装有温度计、搅拌器和250毫升滴液漏斗的2升烧瓶中,加入400毫升浓硫酸(95一97%)。在冰浴中冷至0-5℃温度保持0一5℃的条件下,滴加90.2克(2.2摩尔)乙腊,加完后,也在保持同样温度的条件下,滴加236克(2.0摩尔)2一甲基---2 . 4---.戊二醉。将反应混合物再搅拌1小时,然后倾在大约15 00克碎冰上。水溶液用四份每份125毫升的氯仿萃取。弃去氯仿萃取液。水溶液加40%氢氧化钠溶液使呈碱性。在加氢氧化钠时不时加入碎冰以保持混合物的温度低于35℃。呈碱性后,分离出黄色汕状物。水层用三份每份100毫升的乙醚萃取,合并乙醚萃取液和油状物,用无水碳酸钾干燥。用旋转蒸发器蒸去乙醚,残余物经过长25厘米的分馏柱蒸馏,得183.2克(65%}的2,4,4,6一四甲基二氢一1,3一恶唑。(蒸馏时产物严重地起泡,用玻璃毛蒸馏可以避免此现象)。

合成制备方法

1.在装有温度计、搅拌器和250毫升滴液漏斗的2升烧瓶中,加入400毫升浓硫酸(95一97%)。在冰浴中冷至0-5℃温度保持0一5℃的条件下,滴加90.2克(2.2摩尔)乙腊,加完后,也在保持同样温度的条件下,滴加236克(2.0摩尔)2一甲基---2 . 4---.戊二醉。将反应混合物再搅拌1小时,然后倾在大约15 00克碎冰上。水溶液用四份每份125毫升的氯仿萃取。弃去氯仿萃取液。水溶液加40%氢氧化钠溶液使呈碱性。在加氢氧化钠时不时加入碎冰以保持混合物的温度低于35℃。呈碱性后,分离出黄色汕状物。水层用三份每份100毫升的乙醚萃取,合并乙醚萃取液和油状物,用无水碳酸钾干燥。用旋转蒸发器蒸去乙醚,残余物经过长25厘米的分馏柱蒸馏,得183.2克(65%}的2,4,4,6一四甲基二氢一1,3一恶唑。(蒸馏时产物严重地起泡,用玻璃毛蒸馏可以避免此现象)。

用途简介

醛、酮、羧酸的合成

用途

1.醛、酮、羧酸的合成

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 物化性质

密度:
0.88
沸点:
47-49ºC (17 torr)
闪点:
43.4ºC
折射率:
1.44-1.444
蒸汽压:
3.09mmHg at 25°C
存储条件/存储方法:

1.保持贮藏器密封

2.放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

1.如果遵照规格使用和储存则不会分解

2.避免接触氧化物,水分/潮湿

其它信息:

1.       性状: 无色液体

2.       密度(g/mL,25/4℃):0.886

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):147-149

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:1.4450

8.       闪点(ºC):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(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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:未确定

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 安全信息

包装等级:
III
海关代码:
2934999090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 毒理性

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 MSDS

Name: 5 6-Dihydro-2 4 4 6-Tetramethyl-4H-1 3-Oxazine Tech. 85% Material Safety Data Sheet
Synonym: 4H-1,3-Oxazine, 5,6-Dihydro-2,4,4,6-Tetramethyl
CAS: 26939-18-4
Section 1 - Chemical Product   MSDS Name:5 6-Dihydro-2 4 4 6-Tetramethyl-4H-1 3-Oxazine Tech. 85% Material Safety Data Sheet
Synonym:4H-1,3-Oxazine, 5,6-Dihydro-2,4,4,6-Tetramethyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
26939-18-4 4H-1,3-Oxazine, 5,6-Dihydro-2,4,4,6-Te 85 248-117-8
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
No information found.

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. 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:

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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire.
Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area. Store protected from moisture.

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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 26939-18-4: 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: Liquid
Color: clear orange-red
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 47 - 49 deg C @ 17.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 45 deg C ( 113.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8860g/cm3
Molecular Formula: C8H15NO
Molecular Weight: 141.21

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 26939-18-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4H-1,3-Oxazine, 5,6-Dihydro-2,4,4,6-Tetramethyl - 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: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 26939-18-4: No information available.
Canada
CAS# 26939-18-4 is listed on Canada's NDSL List.
CAS# 26939-18-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26939-18-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:41.09

2、   摩尔体积(cm3/mol):145.7

3、   等张比容(90.2K):332.1

4、   表面张力(dyne/cm):27.0

5、   极化率(10-24cm3):16.29

计算化学数据

1.疏水参数计算参考值(XlogP):1.2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积21.6

7.重原子数量:10

8.表面电荷:0

9.复杂度:161

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:1

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

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 上游产品

2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 下游产品

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产品介绍:
产品名称:2,4,4,6-四甲基-1-氧杂-3-氮杂-2-环己烯 Cas号:26939-18-4 纯度: 包装信息:洽谈 价格:洽谈
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