1,3-联苯甲酰氧基苯

  • 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
  • 表征图谱

1,3-联苯甲酰氧基苯 基本信息

中文名称:
1,3-联苯甲酰氧基苯 
中文别名:
1,3-二苯甲酰氧基苯;
1,3-联苯甲酰氧基苯 
英文名称:
1,3-Benzenediol,1,3-dibenzoate
英文别名:
1,3-Dibenzoyloxybenzene;
(3-benzoyloxyphenyl) benzoate 
CAS No.:
94-01-9
分 子 式:
C20H14O4
分 子 量:
318.32
精确分子量:
318.08900
PSA:
52.60000
MDL:
MFCD00016576
EINECS:
202-294-8
BRN:
2059467
InChI:
InChI=1/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
风险术语:
R36/37/38
安全术语:
S24/25
分子结构式:
SDS:
查看

1,3-联苯甲酰氧基苯 制备方法及用途

用途

制造染料。有机合成。

1,3-联苯甲酰氧基苯 物化性质

密度:
1.242g/cm3
熔点:
115-117 °C
沸点:
450 °C
闪点:
93°C
折射率:
1.615
存储条件/存储方法:
库房通风低温干燥
其它信息:

1.       性状:片状结晶。

2.       密度(g/mL,25/4℃): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):117

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

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:溶于无水乙醇和乙醚。

1,3-联苯甲酰氧基苯 安全信息

海关代码:
2916399090
危险类别码:
36/37/38
安全说明:
S24/25
RTECS号:
VH0590000
安全标志:
S24/25:防止皮肤和眼睛接触。

1,3-联苯甲酰氧基苯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH0590000
CHEMICAL NAME :
Resorcinol, dibenzoate
CAS REGISTRY NUMBER :
94-01-9
BEILSTEIN REFERENCE NO. :
2059467
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H14-O4
MOLECULAR WEIGHT :
318.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 46,185,1957

1,3-联苯甲酰氧基苯 MSDS

Name: M-Phenylene Dibenzoate Material Safety Data Sheet
Synonym: Dibenzoate Resourcino
CAS: 94-01-9
Section 1 - Chemical Product   MSDS Name:M-Phenylene Dibenzoate Material Safety Data Sheet
Synonym:Dibenzoate Resourcino

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
94-01-9 1,3-Benzenediol, Dibenzoate ca 100 202-294-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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:
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. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 94-01-9: 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 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: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 157 deg C
Freezing/Melting Point: 114.00 - 118.00 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: C20H14O4
Molecular Weight: 318.32

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, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 94-01-9: VH0590000 LD50/LC50:
Not available.
Carcinogenicity:
1,3-Benzenediol, Dibenzoate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 94-01-9: No information available.
Canada
CAS# 94-01-9 is listed on Canada's NDSL List.
CAS# 94-01-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 94-01-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,3-联苯甲酰氧基苯 海关数据

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 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, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1,3-联苯甲酰氧基苯 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:89.54

2、  摩尔体积(cm3/mol):256.2 ±

3、  等张比容(90.2K):682.0

4、  表面张力(dyne/cm):50.1

5、  极化率(10-24cm3):35.49

计算化学数据

1、   疏水参数计算参考值(XlogP):5

2、   氢键供体数量:0

3、   氢键受体数量:4

4、   可旋转化学键数量:6

5、   互变异构体数量:

 6、   拓扑分子极性表面积(TPSA):52.6

7、   重原子数量: 24

8、   表面电荷:0

9、   复杂度:383

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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