499-02-5 (3-亚甲基环丙烷-反-1,2-二羧酸,3-Methylenecyclopropane-trans-1,2-dicarboxylic Acid)

快速询单

结构式：

3-亚甲基环丙烷-反-1,2-二羧酸MOL文件

CAS号：

499-02-5

中文名称：

3-亚甲基环丙烷-反-1,2-二羧酸

英文名称：

3-Methylenecyclopropane-trans-1,2-dicarboxylic Acid

分子式：

C₆H₆O₄

分子量：

142.109442234039

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)名称与标识符

名称

中文别名：

3,5-二叔丁基苄溴;3-亚甲基环丙烷-反-1,2-二羧酸;费斯特酸;

英文别名：

1,2-Cyclopropanedicarboxylicacid, 3-methylene-, (1R,2R)-rel-;3-methylidenecyclopropane-1,2-dicarboxylic acid;3-Methylenecyclopropane-1,2-dicarboxylic acid;3-Methylenecyclopropane-trans-1,2-dicarboxylic acid;Feist's acid;Fiest's acid;trans-1-Methylene cyclopropane-2,3-dicarboxylic acid;trans-3-Methylenecyclopropane-1,2-dicarboxylic acid;148152-68-5;499-02-5;AKOS005438118;SCHEMBL712898;XZVHROKAQFFOCA-QWWZWVQMSA-;InChI=1/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1;(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid;trans-3-Methylidenecyclopropane-1,2-dicarboxylic acid;(1S,2S)-3-Methylene-1,2-cyclopropanedicarboxylic acid;trans-3-Methylenecyclopropane-1,2-dicarboxylicacid;DTXSID801215743;MFCD00001312;

标识符

InChIKey：

XZVHROKAQFFOCA-QWWZWVQMSA-N

Inchi：

1S/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1

SMILES：

OC([C@@H]1C(=C)[C@H]1C(=O)O)=O

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)物化性质

实验特性

LogP : -0.04220
PSA : 74.60000
折射率 : 1.5800 (estimate)
沸点 : 219.65°C (rough estimate)
熔点 : 200 ºC
蒸气压 : 0.0±1.4 mmHg at 25°C
闪点 : 155.0±21.1 °C
溶解度 : 溶解 (87 g/L) (25 ºC),
颜色与性状 : 米色或灰白色结晶状粉末
溶解性 : 未确定
密度 : 1.49±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 142.02700
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 142.027
重原子数量 : 10
复杂度 : 196
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.5
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 74.6Å²

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)安全信息

安全说明： S24/25
风险术语： R34; R36/37/38
危险品标志： C Xi
危害声明：H303+H313+H333
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 34-36/37/38
信号词： warning

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)国际标准相关数据

EINECS：

207-874-4

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)推荐厂家更多厂家(2)

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3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)相关文献

1. C2-Symmetric Ligands for Asymmetric Catalysis based on Feist's Acid
Abdullah M. Al-Majid,Brian L. Booth,Jonnes T. Gomes J. Chem. Res. (S) 1998 78
2. Addition reactions of esters of Feist's acid
T. L. Gilchrist,C. W. Rees J. Chem. Soc. C 1968 776
3. The thermal rearrangements of methylenecyclopropanecarboxylic acids
Zeev Goldschmidt,Doron Finkel J. Chem. Soc. Perkin Trans. 1 1983 45
4. Synthesis of 3-bromo-2-pyrones and their reactions with bases
T. L. Gilchrist,C. W. Rees J. Chem. Soc. C 1968 769
5. Synthesis of (±)-cycloprop-G, the cyclopropyl analogue of the broad spectrum antiviral agent cyclobut-G
Daniel W. Norbeck,Hing L. Sham,Thomas Herrin,William Rosenbrook,Jacob J. Plattner J. Chem. Soc. Chem. Commun. 1992 128
6. Synthesis of [1α,2β,3α-2,3-bis(benzyloxymethyl)cyclobutyl]imidazol-5-amines: important precursors to cyclobut-A derivatives
Brian L. Booth,Paul R. Eastwood J. Chem. Soc. Perkin Trans. 1 1995 669
7. Cyclopropanones and related compounds. Part III. Addition of some isoelectronic molecules to olefins and dienes
R. C. Cookson,B. Halton,I. D. R. Stevens,C. T. Watts J. Chem. Soc. C 1967 928
8. Transition-metal complexes of methylenecyclopropanes: ring-opening reactions promoted by palladium(II)
Michael Green,Russell P. Hughes J. Chem. Soc. Chem. Commun. 1974 686
9. Notes
W. Slough,A. R. Ubbelohde,F. E. King,T. J. King,J. G. Topliss,J. C. Bardhan,D. Nasipuri,D. N. Mukherji,Martin G. Ettlinger,S. H. Harper,Flynt Kennedy,P. B. D. de la Mare,T. M. Dunn,J. T. Harvey,R. Foster,H. R. Ing,H. B. Henbest,M. Smith,W. M. Corbett,J. Kenner J. Chem. Soc. 1957 918
10. VII.—The chemistry of the glutaconic acids. Part XIII. The isomerism due to retarded mobility
Jocelyn Field Thorpe,Arthur Samuel Wood J. Chem. Soc. Trans. 1923 123 62

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5)参考资料

Reaxys RN：

PubChem CID：

736804

3-亚甲基环丙烷-反-1,2-二羧酸(499-02-5) MSDS

基础信息

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