2-苯甲酰-1,3-茚满二酮

  • 基本信息
  • 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-苯甲酰-1,3-茚满二酮 基本信息

中文名称:
2-苯甲酰-1,3-茚满二酮 
中文别名:
2-苯甲酰-1,3-茚满二酮;
2-苯甲酰基-1,3-茚二酮 
英文名称:
1H-Indene-1,3(2H)-dione,2-benzoyl-
英文别名:
2-benzoylindene-1,3-dione;
2-benzoyl-2H-indene-1,3-dione;
2-benzoyl-1,3-indandione;
1,3-Indandione,2-benzoyl;
2-Benzoyl-1,3-indanedione;
Benzoylindandione;
2-Benzoyl-indan-1,3-dion;
2-benzoyl-indan-1,3-dione 
CAS No.:
1785-95-1
分 子 式:
C16H10O3
分 子 量:
250.26
精确分子量:
250.06300
PSA:
51.21000
InChI:
InChI=1/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,17H
危险品标志:
HarmfulXn
风险术语:
R22
安全术语:
S22;S36/37
分子结构式:
SDS:
查看

2-苯甲酰-1,3-茚满二酮 物化性质

密度:
1.327g/cm3
熔点:
108-112 °C
沸点:
455.4ºC at 760mmHg
闪点:
200.1ºC
折射率:
1.698
蒸汽压:
8.98E-09mmHg at 25°C
存储条件/存储方法:

密封贮藏,储存在阴凉、干燥的地方;远离氧化剂

稳定性相关:

常温常压稳定;可与强化剂反应

其它信息:

1.       性状:淡黄色粉末

2.       密度(g/mL,25 ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):106-109

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(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(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:对水不可溶

2-苯甲酰-1,3-茚满二酮 安全信息

海关代码:
2914399090
危险类别码:
R22
安全说明:
S22-S36/37
RTECS号:
NK5105000
危险标志:
Xn: Harmful;

2-苯甲酰-1,3-茚满二酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK5105000
CHEMICAL NAME :
1,3-Indandione, 2-benzoyl-
CAS REGISTRY NUMBER :
1785-95-1
BEILSTEIN REFERENCE NO. :
2052944
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H10-O3
MOLECULAR WEIGHT :
250.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967
毒理学数据:

1、急性毒性:小鼠经口LD50350mg/kg

2-苯甲酰-1,3-茚满二酮 MSDS

Name: 2-Benzoyl-1 3-indanedione 98% Material Safety Data Sheet
Synonym:
CAS: 1785-95-1
Section 1 - Chemical Product   MSDS Name:2-Benzoyl-1 3-indanedione 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1785-95-1 2-Benzoyl-1,3-indanedione 98% unlisted
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1785-95-1: Personal Protective Equipment Eyes: Not available.
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: Powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108 - 112 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C16H10O3
Molecular Weight: 250.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1785-95-1: NK5105000 LD50/LC50:
CAS# 1785-95-1: Oral, mouse: LD50 = 350 mg/kg.
Carcinogenicity:
2-Benzoyl-1,3-indanedione - 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 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 1785-95-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1785-95-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1785-95-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-苯甲酰-1,3-茚满二酮 海关数据

中国海关编码:2914399090

概述:
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-苯甲酰-1,3-茚满二酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积51.2

7.重原子数量:19

8.表面电荷:0

9.复杂度:382

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

2-苯甲酰-1,3-茚满二酮 上游产品

2-苯甲酰-1,3-茚满二酮 下游产品

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