498-66-8 (降冰片烯,Bicyclo2.2.1hept-2-ene)

CAS号:
498-66-8
中文名称:
降冰片烯
英文名称:
Bicyclo2.2.1hept-2-ene
安全信息:
分子式:
C7H10
分子量:
94.1543021202087
简介:
降冰片烯(Norbornene)是降莰烯 (norcamphene)的桥环烃,是一种白色固体,有刺激性酸味。该分子由环己烯环和亚甲基桥(C-3和C-6之间)。分子带有一个双键引起显著的环张力和明显的反应。降冰片烯由许多其衍生物合成,例如环戊二烯和乙烯的Diels-Alder反应(阿德耳反应)。跟bicylic 相似的还有norbornadiene ,它与没有双键完全饱和的norbornane 有一样的结构,但它多了两个双键。降冰片烯进行酸催化水合反应,与水形成降冰片。研究非经典离子化学家对此反应有很大的兴趣。

降冰片烯(498-66-8)名称与标识符

名称

中文别名:
降冰片烯;降莰烯;冰片烯;2-崁烯;2-降冰片烯;降【草(之上)+伯】烯;去甲[0XA29C]烯;双环[2.2.1]庚-2-烯;2-Norbornene 2-降冰片烯;2-酒石酸;便携式塑料退火应力检测仪S-18;
英文别名:
Bicyclo[2.2.1]hept-2-ene;Bicyclo[2.2.1]heptene~Norbornylene;8,9,10-trinorborn-2-ene;bicyclo(2.2.1)hept-2-ene;Norbornene;Bicyclo[2.2.1]-2-heptene;2-Norbornene;Norbornylene;2-Norbornylene;3,6-Endomethylenecyclohexene;bicyclo(2,2,1)hept-2Z-ene;bicyclo(2.2.1)heptene;bicyclo[2.2.1]hept-5-ene;norborn-2-ene;Norbornylene,stabilized;Norcamphene;Norfenchene;Bicyclo[2.2.1]heptene;NSC;Bicyclo[2.2.1.]-2-heptene;JFNLZVQOOSMTJK-UHFFFAOYSA-N;WLN: L55 A CUTJ;Norbornylene, 99%, stabilized;bicyclo[2,2,1]-2-heptene;bicyclo [2.;Q420176;bicyclo [2.2.1] hept-2-ene;AMY10401;EN300-54688;FT-0613233;E78935;AKOS009157173;498-66-8;NSC120425;DTXSID2022042;NSC22453;NS00007988;(1R,4S)-bicyclo[2.2.1]hept-2-ene;NSC-120425;NSC-22453;NSC 120425;N0166;DB-071057;

标识符

MDL:
MFCD00082304
InChIKey:
JFNLZVQOOSMTJK-UHFFFAOYSA-N
Inchi:
1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
SMILES:
C12C=CC(CC1)C2
BRN:
1098544

降冰片烯(498-66-8)物化性质

实验特性

  • LogP : 1.97250
  • PSA : 0.00000
  • 折射率 : 1.4770 (estimate)
  • 水溶性 : Soluble in ethanol, ether and most organic solvents. Insoluble in water.
  • 沸点 : 96°C(lit.)
  • 熔点 : 45.0 to 48.0 deg-C
  • 闪点 : 华氏:17.6 °F
    摄氏:-8 °C
  • 颜色与性状 : 无色结晶。高度易燃。
  • 溶解性 : 不溶于水。
  • 密度 : 0.955

计算特性

  • 精确分子量 : 94.07830
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 94.07825
  • 重原子数量 : 7
  • 复杂度 : 90.6
  • 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) : 2.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0

降冰片烯(498-66-8)安全信息

降冰片烯(498-66-8)国际标准相关数据

EINECS:
120425

降冰片烯(498-66-8)生产方法和用途

用途:
生化试剂。
生产方法:
1.制法: 2-莰酮对甲苯磺酰腙(4):于装有回流冷凝器的反应瓶中,加入对甲苯磺酰肼(3)44g(0.24mol),樟脑...

降冰片烯(498-66-8)参考资料

Reaxys RN:
1098544
Beilstein:
5(4)394
PubChem CID:

降冰片烯(498-66-8) MSDS

基础信息

Name:Norbornylene stabilized 99% Material Safety Data Sheet
Synonym:Bicyclo[2.2.1]-2-heptene; Norbornene; Norbornylene; Bicyclo[2.2.1]hept-2-ene
CAS:498-66-8
Section 1 - Chemical Product ? MSDS Name:Norbornylene stabilized 99% Material Safety Data Sheet
Synonym:Bicyclo[2.2.1]-2-heptene; Norbornene; Norbornylene; Bicyclo[2.2.1]hept-2-ene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
498-66-8Norbornylene99207-866-0
Hazard Symbols: F
Risk Phrases: 11

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Highly flammable.Extremely flammable.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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. Vapors can travel to a source of ignition and flash back. Flammable solid.
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. Remove all sources of ignition. Provide ventilation. Use only non-sparking tools and equipment.

Section 7 - HANDLING and STORAGE
? Handling:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Take precautionary measures against static discharges. Use only with adequate ventilation. Keep away from heat, sparks and flame.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Refrigerator/flammables.

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# 498-66-8: Russia: 3 mg/m3 TWA Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: pungent sour
pH: Not available.
Vapor Pressure: 39.2 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 96 deg C @ 760 mm Hg
Freezing/Melting Point: 42 - 46 deg C
Autoignition Temperature: Not available.
Flash Point: -15 deg C ( 5.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: practically insoluble
Specific Gravity/Density:
Molecular Formula: C7H10
Molecular Weight: 94.15

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
No information found.
Conditions to Avoid:
High temperatures, ignition sources, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 498-66-8: RB7900000 LD50/LC50:
CAS# 498-66-8: Oral, mouse: LD50 = 13000 mg/kg; Oral, rat: LD50 = 11300 mg/kg; Skin, rabbit: LD50 = >5 mL/kg.
Carcinogenicity:
Norbornylene - 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
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.*
Hazard Class: 4.1
UN Number: 1325
Packing Group: II
IMO
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.
Hazard Class: 4.1
UN Number: 1325
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.
Hazard Class: 4.1
UN Number: 1325
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 498-66-8: No information available.
Canada
CAS# 498-66-8 is listed on Canada's NDSL List.
CAS# 498-66-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 498-66-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A