四氢邻苯二甲酸酐

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

四氢邻苯二甲酸酐 基本信息

中文名称:
四氢邻苯二甲酸酐 
中文别名:
四氢酞酰亚胺;
顺-四氢邻苯二甲酰亚胺;
顺-1,2,3,6-四氢太亚胺 
英文名称:
tetrahydrophthalic anhydride
英文别名:
cis-1,2,3,6-Tetrahydrophthalimide;
TETRAHYDROTHALIMIDE;
cis-4-Cyclohexene-1,2-dicarboximide;
Phthalimide,tetrahydro;
4,5,6,7-Tetrahydroisoindole-1,3-dione;
CIS-1,2,3,6-TETRAHYDROPHTHALIMIDE,5GM,NEAT;
CIS-1,2,3,6-tetrahudrophthalimide 
CAS No.:
27813-21-4
分 子 式:

C8H9NO2

分 子 量:
151.17
精确分子量:
151.06300
PSA:
46.17000
EINECS:
215-999-0
InChI:
InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)
危险品标志:

HarmfulXn

风险术语:

R20/21;

安全术语:

S24/25; S36/37/39; S7;

分子结构式:
SDS:
查看

四氢邻苯二甲酸酐 制备方法及用途

制备方法

将顺丁烯二酸酐加入反应釜,加热至全部熔融后,搅拌下加入溶剂苯,搅拌混溶后,继续搅拌并加热升温至100~110℃,通入C4馏分或丁二烯进行双烯加成反应。反应结束后将溶剂苯蒸出,经冷凝器冷却后回收循环使用。反应液经抽滤、干燥,即得成品。顺丁烯二酸酐的转化率可达100%。

合成制备方法

将顺丁烯二酸酐加入反应釜,加热至全部熔融后,搅拌下加入溶剂苯,搅拌混溶后,继续搅拌并加热升温至100~110℃,通入C4馏分或丁二烯进行双烯加成反应。反应结束后将溶剂苯蒸出,经冷凝器冷却后回收循环使用。反应液经抽滤、干燥,即得成品。顺丁烯二酸酐的转化率可达100%。

用途简介

本品用作浅色醇酸树脂、气干性水溶树脂、原子灰树脂、PE树脂、涂料、环氧树脂固化剂、聚酯树脂、F级绝缘材料、胶黏剂、增塑剂等。本品为化工原料中间体,可用作生产农药敌菌丹、克菌丹等及增塑剂、黏合剂。

用途

本品用作浅色醇酸树脂、气干性水溶树脂、原子灰树脂、PE树脂、涂料、环氧树脂固化剂、聚酯树脂、F级绝缘材料、胶黏剂、增塑剂等。

本品为化工原料中间体,可用作生产农药敌菌丹、克菌丹等及增塑剂、黏合剂。

四氢邻苯二甲酸酐 物化性质

外观与性状:
白色结晶粉末
密度:
1.27 g/cm3
熔点:
129-133 °C(lit.)
沸点:
392ºC
闪点:
158.1ºC
折射率:
1.559
蒸汽压:
0.000247mmHg at 25°C
存储条件/存储方法:

本品采用内衬塑料袋,外用铁皮桶包装,每桶50kg。储运过程中切忌明火,储存于阴凉、通风处,严防潮湿。

稳定性相关:

本品低毒。与水接触生成酸,有腐蚀性。当与皮肤接触后,立即用肥皂水洗涤。操作人员应穿戴防护用具。

其它信息:

1.性状:白色结晶粉末

2相对密度(105ºC):1.20

3凝固点(ºC):99~101

4.溶解性:溶于苯,微溶于石油醚和乙醚。与水接触生成四氢邻苯二甲酸。本品低毒。

 

四氢邻苯二甲酸酐 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21
安全说明:
S24/25-S36/37/39-S7
RTECS号:
GW4635000
危险标志:
Xn:Harmful;

四氢邻苯二甲酸酐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW4635000
CHEMICAL NAME :
Cyclohexene-1,2-dicarboximide
CAS REGISTRY NUMBER :
27813-21-4
BEILSTEIN REFERENCE NO. :
0136336
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C8-H9-N-O2
MOLECULAR WEIGHT :
151.18
WISWESSER LINE NOTATION :
T56 BVMV&TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>150 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>150 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
825 mg/kg
SEX/DURATION :
female 6-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 13,420,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1 gm/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 16,24,1970

四氢邻苯二甲酸酐 MSDS

Name: Cis-1 2 3 6-Tetrahydrophthalimide 96% Material Safety Data Sheet
Synonym: 1H-Isoindole-1,3(2H)-Dione, Tetrahydro-; Cyclohexene-1,2-Dicarboximide
CAS: 27813-21-4
Section 1 - Chemical Product   MSDS Name:Cis-1 2 3 6-Tetrahydrophthalimide 96% Material Safety Data Sheet
Synonym:1H-Isoindole-1,3(2H)-Dione, Tetrahydro-; Cyclohexene-1,2-Dicarboximide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27813-21-4 Cis-1,2,3,6-Tetrahydrophthalimide 96 248-667-9
Hazard Symbols: XN
Risk Phrases: 20/21

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Adverse reproductive effects have been reported in animals.

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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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# 27813-21-4: Russia: 0.7 mg/m3 TWA 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: Crystalline powder
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 134.00 - 138.00 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:
Specific Gravity/Density:
Molecular Formula: C8H9NO2
Molecular Weight: 151.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 27813-21-4: GW4635000 LD50/LC50:
Not available.
Carcinogenicity:
Cis-1,2,3,6-Tetrahydrophthalimide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: XN
Risk Phrases:
R 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 7 Keep container tightly closed.
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 27813-21-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27813-21-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27813-21-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

四氢邻苯二甲酸酐 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:38.15

2、  摩尔体积(cm3/mol):123.0

3、  等张比容(90.2K):313.4

4、  表面张力(dyne/cm):42.1

5、  极化率(10-24cm3):15.12

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