3,4-二甲基二苯甲酮

3,4-二甲基二苯甲酮 基本信息
CAS号 13152-94-8 分子式 C15H14O
分子量 210.27100 精确质量  210.10400
PSA  17.07000 LogP  3.53440

基本信息 展开↓

CAS号:
13152-94-8
3D弹球模型:
立即前往扯扯看
分子式:
C15H14O
分子量:
210.27100
中文名称:
3,4-二甲基二苯甲酮
英文名称:
(3-methylphenyl)-(4-methylphenyl)methanone
中文别名:
3,4-二甲基二苯甲酮;
3,4-二甲基苯甲酮
英文别名:
(3-methylphenyl)-(4-methylphenyl)methanone;
3,4'-Dimethyl-benzophenon;
di3-methylphenyl ketone;
m-Tolyl-p-tolyl-keton;
(3-methylphenyl)(4-methylphenyl)methanone;
m-tolyl-p-tolyl-methanone;
3,4'-dimethylbenzophenone
精确分子量/精确质量:
210.10400
极性分子表面积/PSA:
17.07000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
219-916-9
BRN:
1948955
InChI:
The Key: YMDBXBBWNOELNV-UHFFFAOYSA-N

物化性质展开↓

密度:
1.05g/cm3
熔点:
70-74 °C
沸点:
354.1ºC at 760mmHg
闪点:
153.7ºC
折射率:
1.57
蒸汽压:
3.43E-05mmHg at 25°C
其它信息:

1.        性状:未确定

2.        密度(g/mL,25):未确定

3.        相对蒸汽密度(g/mL,空气=1):未确定

4.        熔点(ºC):71-74

5.        沸点(ºC,常压):未确定

6.        沸点(ºC5mmHg):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(20ºC):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

安全信息展开↓

海关代码:
2914399090
危险类别码:
36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 5142-75-6

    三对甲苯基铋

  • +

  • 1711-06-4

    间甲基苯甲酰氯

  • ~98%

  • 13152-94-8

    3,4-二甲基二苯甲酮

  • 17933-03-8

    3-甲基苯硼酸

  • +

  • 874-60-2

    对甲基苯甲酰氯

  • ~90%

  • 13152-94-8

    3,4-二甲基二苯甲酮

  • 5720-05-8

    4-甲基苯硼酸

  • +

  • 21436-44-2

    3-甲基苯-1-羧酸酐

  • ~83%

  • 13152-94-8

    3,4-二甲基二苯甲酮

MSDS 展开↓

Name: 3 4 -Dimethylbenzophenone Material Safety Data Sheet
Synonym:
CAS: 13152-94-8
Section 1 - Chemical Product   MSDS Name:3 4 -Dimethylbenzophenone Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13152-94-8 3,4'-Dimethylbenzophenone 100 unlisted
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. Contact with eyes may cause severe irritation, and possible eye burns. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. May cause severe irritation and possible burns. 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. May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. 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. 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.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 13152-94-8: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. 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 and clothing to prevent skin exposure. Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin. Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. 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: light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C15H14O
Molecular Weight: 210.0974

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13152-94-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4'-Dimethylbenzophenone - 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:
Safety Phrases:
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# 13152-94-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13152-94-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13152-94-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:65.69

2、   摩尔体积(m3/mol):200.0

3、   等张比容(90.2K):502.1

4、   表面张力(dyne/cm):39.6

5、   极化率10-24cm3):26.04

计算化学数据


1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:4

6.拓扑分子极性表面积17.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:238

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

上下游相关产品

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  • 17933-03-8

    3-甲基苯硼酸

  • 874-60-2

    对甲基苯甲酰氯

  • 5720-05-8

    4-甲基苯硼酸

  • 21436-44-2

    3-甲基苯-1-羧酸酐

  • 5142-75-6

    三对甲苯基铋

下游产品

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