3-亚甲基环丙烷-反-1,2-二羧酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-亚甲基环丙烷-反-1,2-二羧酸 基本信息

中文名称:
3-亚甲基环丙烷-反-1,2-二羧酸 
中文别名:
3-亚甲基环丙烷-反-1,2-二羧酸;
1,2-Cyclopropanedicarboxylic acid, 3-Methylene-, trans- 3-Methylene-1,2-cyclopropanedicarboxylic acid 3-Methylenecyclopropane-1,2-dicarboxylic acid, trans- Salor-int l167959-1ea Timtec-bb sbb008097 Trans-1-methylenecyclopropane-2,3-dicarboxylic acid 3-Met 
英文名称:
1,2-Cyclopropanedicarboxylicacid, 3-methylene-, (1R,2R)-rel-
英文别名:
3-methylidenecyclopropane-1,2-dicarboxylic acid;
Fiest's acid;
Feist's acid;
trans-1-Methylene cyclopropane-2,3-dicarboxylic acid;
3-Methylenecyclopropane-trans-1,2-dicarboxylic acid;
3-Methylenecyclopropane-1,2-dicarboxylic acid 
CAS No.:
499-02-5
分 子 式:
C6H6O4
分 子 量:
142.11
精确分子量:
142.02700
PSA:
74.60000
MDL:
MFCD00001312
EINECS:
207-874-4
InChI:
The Key: XZVHROKAQFFOCA-QWWZWVQMSA-N
风险术语:
R34
安全术语:
S24/25
分子结构式:
SDS:
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3-亚甲基环丙烷-反-1,2-二羧酸 物化性质

密度:
1.49g/cm3
熔点:
197-201ºC
沸点:
309.2ºC at 760mmHg
闪点:
155ºC
蒸汽压:
0.000145mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.       性状:米色或灰白色结晶状粉末

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(ºC197-201

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,11mmHg):未确定

7.       折射率(n20/D):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(mmHg,25ºC):未确定

12.    饱和蒸气压(kPa,25ºC):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

3-亚甲基环丙烷-反-1,2-二羧酸 安全信息

危险类别码:
34-36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
C,Xi

3-亚甲基环丙烷-反-1,2-二羧酸 MSDS

Name: DL-3-Methylenecyclopropane-Trans-1 2-Dicarboxylic Acid 98% (Titr.) Material Safety Data Sheet
Synonym: None known
CAS: 499-02-5
Section 1 - Chemical Product   MSDS Name:DL-3-Methylenecyclopropane-Trans-1 2-Dicarboxylic Acid 98% (Titr.) Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
499-02-5 DL-3-Methylenecyclopropane-Trans-1,2-D 98 207-874-4
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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:
Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
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# 499-02-5: 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: Solid
Color: slightly beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 193.00 - 196.00 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: C6H6O4
Molecular Weight: 142.11

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# 499-02-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
DL-3-Methylenecyclopropane-Trans-1,2-Dicarboxylic Acid - 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: C
Risk Phrases:
R 34 Causes burns.
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# 499-02-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 499-02-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 499-02-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-亚甲基环丙烷-反-1,2-二羧酸 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):-0.5

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积74.6

7.重原子数量:10

8.表面电荷:0

9.复杂度:196

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:2

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

3-亚甲基环丙烷-反-1,2-二羧酸 下游产品

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产品介绍:
产品名称:3-亚甲基环丙烷-反-1,2-二羧酸 Cas号:499-02-5 纯度: 包装信息:洽谈 价格:洽谈
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