3853-88-1 (5-降冰片烯-2,3-二羧酸,cis-5-Norbornene-endo-2,3-dicarboxylic acid)

快速询单

结构式：

5-降冰片烯-2,3-二羧酸MOL文件

CAS号：

3853-88-1

中文名称：

5-降冰片烯-2,3-二羧酸

英文名称：

cis-5-Norbornene-endo-2,3-dicarboxylic acid

安全信息：

分子式：

C₉H₁₀O₄

分子量：

182.173303127289

API：

Tandospirone

5-降冰片烯-2,3-二羧酸(3853-88-1)名称与标识符

名称

中文别名：

5-降冰片烯-2,3-二羧酸;顺-5-降冰片烯-endo-2,3-二羧酸;(1S,2R,3R,4S)-双环[2.2.1]-5-庚烯-2,3-二羧酸;8-羟基喹啉硫酸盐单水合物;顺-5-降冰片烯-内-2,3-二羧酸;顺式-5-降冰片烯-内-2,3-二羧酸;双环[2.2.1]庚-5-烯-2,3-二羧酸;内型-降冰片烯-顺式-5,6-二甲酸;

英文别名：

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, (1R,2S,3R,4S)-rel-;(cis)-5-Norbornene-endo-2,3-dicarboxylic acid;(1S,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;3,6-Endomethylene-.δ.4-tetrahydrophthalic acid;5-Norbornene-2,3-dicarboxylicacid;BICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ACID;cis-5-Norbornene-endo-2,3-dicarboxylic acid;endo-Methylenetetrahydrophthalic acid;endo-Norbornene-cis-5,6-dicarboxylic acid;CID 122176685;A873821;endo-cis-5-Norbornene-2,3-dicarboxylic acid;H11021;Q27293922;endo-Bicyclo(2.2.1)heptene-5-ene-2,3-dicarboxylic acid;XO203WA3PO;MFCD00003735;Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-;bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid;Bicyclo(2.2.1)hept-5-ene-endo-2,3-cis-dicarboxylic acid;5-norbornene-endo-2,3-dicarboxylic acid;cis-5-Norbornene-endo-2,3-dicarboxylic acid, 98%;cis-endo-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;REL-(1R,2S,3R,4S)-BICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ACID;(1R,2S,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;cis-endo-Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid;2-Norbornene-5,6-endo-cis-dicarboxylic acid;SCHEMBL136912;Endic acid;AKOS037649203;Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-;Bicyclo(2.2.1)hept-5-ene-endo-cis-2,3-dicarboxylic acid;3,6-Endomethylene-delta4-tetrahydrophthalic acid;NSC 123024;Q-101116;NSC-123024;cis-endo-5-Norbornene-2,3-dicarboxylic acid;cis-endo-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid;3853-88-1;BS-17178;cis-3,6-Endomethylene-1,2,3,6-tetrahydrophthalic acid;UNII-XO203WA3PO;CS-0157298;Carbic acid;5-Norbornene-2,3-dicarboxylic acid, cis-endo-;NIDNOXCRFUCAKQ-UMRXKNAASA-N;CHEMBL5266781;

标识符

MDL：

MFCD12026879

InChIKey：

NIDNOXCRFUCAKQ-UMRXKNAASA-N

Inchi：

1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7+

SMILES：

OC([C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@H]1C2)=O

5-降冰片烯-2,3-二羧酸(3853-88-1)物化性质

实验特性

LogP : 0.59390
PSA : 74.60000
折射率 : 1.601
沸点 : 419.8ºC at 760mmHg
熔点 : 191-192 ºC (分解)
闪点 : 221.8ºC
溶解度 : 微溶 (7.3 g/L) (25 ºC),
颜色与性状 : 白色晶体状粉末
溶解性 : 未确定
密度 : 1.481±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 182.05800
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 : 182.05790880 g/mol
重原子数量 : 13
复杂度 : 266
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 : 4
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） : 0.3
表面电荷 : 0
拓扑分子极性表面积 : 74.6
分子量 : 182.17

5-降冰片烯-2,3-二羧酸(3853-88-1)安全信息

符号： GHS07
WGK Germany： 3
安全说明： 26-37/39
风险术语： R20/21/22; R36/37/38
危险品标志： Xn
危害声明：H302,H312,H315,H319,H332,H335
警示性声明：P261,P280,P305+P351+P338
储存条件：储存于紧闭密封的容器中。储存于阴凉、干燥、通风良好的区域，远离不相容的物质。
危险类别码： 20/21/22-36/37/38
信号词： Warning
HazardClass： IRRITANT

5-降冰片烯-2,3-二羧酸(3853-88-1)国际标准相关数据

EINECS：

MFCD00003735

5-降冰片烯-2,3-二羧酸(3853-88-1)海关数据

海关编码：

2917209090

海关数据：

中国海关编码：

2917209090

概述：

HS:2917209090 其他（环烷、环烯、环萜烯）多元羧酸增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary：

2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

5-降冰片烯-2,3-二羧酸(3853-88-1)推荐厂家更多厂家(54)

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5-降冰片烯-2,3-二羧酸(3853-88-1)上下游

马来酸酐马来酸降冰片烯二酸酐环戊二烯 Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5,6-dibromo- (+/-)-5endo,6exo-dibromo-norborn-2-ene-2,3-dicarboxylic acid

5-降冰片烯-2,3-二羧酸(3853-88-1)相关文献

1. Nuclear magnetic shift and relaxation effects resulting from complexation of lanthanide ions with endo-cis-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Muriel Delepierre,Christopher M. Dobson,Stephen L. Menear J. Chem. Soc. Dalton Trans. 1981 678
2. New directions in thermoresponsive polymers
Debashish Roy,William L. A. Brooks,Brent S. Sumerlin Chem. Soc. Rev. 2013 42 7214
3. Cross-linking of ROMP derived polymers using the two-photon induced thiol–ene reaction: towards the fabrication of 3D-polymer microstructures
Thomas Griesser,Archim Wolfberger,Ute Daschiel,Volker Schmidt,Alexander Fian,Abdellatif Jerrar,Christian Teichert,Wolfgang Kern Polym. Chem. 2013 4 1708
4. Modification of acenes for n-channel OFET materials
Arun Naibi Lakshminarayana,Albert Ong,Chunyan Chi J. Mater. Chem. C 2018 6 3551
5. Modification of acenes for n-channel OFET materials
Arun Naibi Lakshminarayana,Albert Ong,Chunyan Chi J. Mater. Chem. C 2018 6 3551
6. Dicyano- and tetracyanopentacene: foundation of an intriguing new class of easy-to-synthesize organic semiconductors
Florian Gl?cklhofer,Andreas Petritz,Esther Karner,Michael J. Bojdys,Barbara Stadlober,Johannes Fr?hlich,Miriam M. Unterlass J. Mater. Chem. C 2017 5 2603
7. Biosynthesis of isoprenoids in Escherichia coli: stereochemistry of the reaction catalyzed by isopentenyl diphosphate:dimethylallyl diphosphate isomerase
Aquiles E. Leyes,Jonathan A. Baker,Frederick M. Hahn,C. Dale Poulter Chem. Commun. 1999 717

5-降冰片烯-2,3-二羧酸(3853-88-1)参考资料

Beilstein：

223-301-0

PubChem CID：

24852975

5-降冰片烯-2,3-二羧酸(3853-88-1) MSDS

基础信息

Name:	Bicyclo[2.2.1]hept-5-ene-2 3-dicarboxylic acid 97% Material Safety Data Sheet
Synonym:	exo, exo Bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic aci
CAS:	3853-88-1

Section 1 - Chemical Product ? MSDS Name:Bicyclo[2.2.1]hept-5-ene-2 3-dicarboxylic acid 97% Material Safety Data Sheet
Synonym:exo, exo Bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3853-88-1	Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxy	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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:
Treat symptomatically and supportively.

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:
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# 3853-88-1: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 145 - 147 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: C9H10O4
Molecular Weight: 182.17

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 3853-88-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bicyclo[2.2.1]hept-5-ene-2,3-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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 3853-88-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3853-88-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3853-88-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A