16595-48-5 (2-乙基-1-己烯,3H-Indolium,2-[7-(1,3-dihydro-1,3,3- trimethyl-2H-indol-2-ylidene)-1,3,5- heptatrienyl]-1,3,3-trimethyl-,perchlorate)

CAS号:
16595-48-5
中文名称:
2-乙基-1-己烯
英文名称:
3H-Indolium,2-[7-(1,3-dihydro-1,3,3- trimethyl-2H-indol-2-ylidene)-1,3,5- heptatrienyl]-1,3,3-trimethyl-,perchlorate
分子式:
C29H33ClN2O4
分子量:
509.036327123642

2-乙基-1-己烯(16595-48-5)名称与标识符

名称

中文别名:
1,1',3,3,3',3'-六甲基吲哚三羰花青高氯酸盐;1,1,3,3,3,3-六甲基吲哚三羰花青高氯酸盐;1,1`,3,3,3`,3`-六甲基吲哚三羰花青高氯酸盐;2-乙基-1-己烯;2-[7-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基]-1,3,5-庚三烯基]-1,3,3-三甲基-3H-吲哚鎓高氯酸盐;2-[7-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基]-1,3,5-庚三烯基]-1,3,3-三甲基-3H-吲哚高氯酸盐;2-[7-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基]-1,3,5-庚三烯基]-1,3,3-三甲基-3H-吲哚?高氯酸盐;
英文别名:
3H-Indolium,2-[7-(1,3-dihydro-1,3,3- trimethyl-2H-indol-2-ylidene)-1,3,5- heptatrienyl]-1,3,3-trimethyl-,perchlorate;1,1',3,3,3',3'-HEXAMETHYLINDOTRI- CARBOCYANINE PERCHLORATE;1,1',3,3,3',3'-HEXAMETHYLINDOTRICARBOCYANINE PERCHLORATE;3H-Indolium,2-[7-(1,3-dihydro-1,3,3- trimethyl-2H-indol-2-ylidene)-1,3,5- heptatrienyl]-1,3,3-...;DiIC1(7);1,1',3,3,3',3',-HEXAMETHYLINDOTRICARBOCYANINE PERCHLORATE,LASER GRADE,PURE;1,1',3,3,3',3',-Hexamethylindotricarbocyanineperchlorate,pure,laser grade;1,1',3,3,3',3'-HEXAMETHYL-2,2'-INDOTRICARBOCYANINE PERCHLORATE;1,1',3,3,3',3'-hexamethylindotricarbocyanine;1,1'',3,3,3'',3''-HEXAMETHYLINDOTRICARBO-CYANINE PERCHLORATE,LASER GADE;1,3,3,1'',3'',3''-Hexamethyl-2,2''-indotricarbocyanin;3,3-trimethyl-rienyl]-perchlorate;HITCP;2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium perchlorate;1,3,3,1'',3'',3''-Hexamethyl-2,2''-indotricarbocyanine perchlorate;HITC PERCHLORATE);1,1'',3,3,3'',3''-HEXAMETHYLINDOTRICARBO- CYANINE PERCHLORATE, LASER GADE;1,1',3,3,3',3',-HEXAMETHYLINDOTRICARBOCYANINE PERCHLORATE, LASER GRADE, PURE;16595-48-5;1,3,3-trimethyl-2-((1E,3E,5E,7Z)-7-(1,3,3-trimethylindolin-2-ylidene)hepta-1,3,5-trienyl)-3H-indolium perchlorate;(2Z)-1,3,3-Trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole;perchlorate;SCHEMBL4562552;

标识符

InChIKey:
GJOIZRTUVPURGI-UHFFFAOYSA-N
Inchi:
1S/C29H33N2.ClO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;/q+1;-1
SMILES:
[Cl+3]([O-])([O-])([O-])[O-].[N+]1(C)C2C=CC=CC=2C(C)(C)C=1/C=C/C=C/C=C/C=C1/C(C)(C)C2C=CC=CC=2N/1C

2-乙基-1-己烯(16595-48-5)物化性质

实验特性

  • LogP : 6.91080
  • PSA : 80.52000
  • 折射率 : 1.6290 (estimate)
  • 沸点 : Not available
  • 熔点 : 235 ºC
  • 闪点 : Not available
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.0790 (rough estimate)

计算特性

  • 精确分子量 : 508.21300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 508.213
  • 重原子数量 : 36
  • 复杂度 : 852
  • 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 : 0
  • 确定化学键立构中心数量 : 4
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 80.5A^2

2-乙基-1-己烯(16595-48-5)国际标准相关数据

EINECS:
240-652-5

2-乙基-1-己烯(16595-48-5)海关数据

海关编码:
32049000

2-乙基-1-己烯(16595-48-5)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
南兴化工(江苏)有限公司 18651116180
0512-66387035
闵慧萍 3771156959 询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单

2-乙基-1-己烯(16595-48-5)相关文献

2-乙基-1-己烯(16595-48-5) MSDS

基础信息

Name:1 1 3 3 3 3 -Hexamethylindotricarbocyanine perchlorate laser grade Material Safety Data Sheet
Synonym:3H-Indolium
CAS:16595-48-5
Section 1 - Chemical Product ? MSDS Name:1 1 3 3 3 3 -Hexamethylindotricarbocyanine perchlorate laser grade Material Safety Data Sheet
Synonym:3H-Indolium

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
16595-48-53H-Indolium,2-7-(1,3-dihydro-1,3,3-trica. 100240-652-5
Hazard Symbols: O
Risk Phrases: 8

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Contact with combustible material may cause fire.Heat sensitive.
Potential Health Effects
Eye:
May cause conjunctivitis. May cause permanent corneal opacification.
Skin:
May cause severe irritation and possible burns.
Ingestion:
May cause burns to the gastrointestinal tract. May cause nausea, vomiting, and diarrhea, possibly with blood.
Inhalation:
May cause acute pulmonary edema, asphyxia, chemical pneumonitis, and upper airway obstruction caused by edema.
Chronic:
Effects may be delayed.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Discard contaminated clothing in a manner which limits further exposure.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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. Strong oxidizer. Contact with other material may cause fire. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water with caution and in flooding amounts. Some oxidizers may react explosively with hydrocarbons(fuel). May accelerate burning if involved in a fire. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Contact professional fire-fighters immediately. For small fires, do NOT use dry chemicals, carbon dioxide, halon or foams. USE WATER ONLY. For large fires flood fire with water from a distance.

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. Remove all sources of ignition. Provide ventilation. Do not use combustible materials such as paper towels to clean up spill.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep away from heat, sparks and flame. Avoid contact with clothing and other combustible materials. Do not ingest or inhale.
Storage:
Keep away from heat, sparks, and flame. Do not store near combustible materials. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 16595-48-5: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate 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: Powder
Color: green
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 235 deg C(dec)
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 235 deg C
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C29H33ClN2O4
Molecular Weight: 509.03

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Unstable if heated.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, combustible materials, reducing agents, strong oxidants, heat.
Incompatibilities with Other Materials:
Reducing agents, heat, strong reducing agents, organic matter, finely powdered metals.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16595-48-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3H-Indolium,2-7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylie - 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
Shipping Name: OXIDIZING SOLID, N.O.S.*
Hazard Class: 5.1
UN Number: 1479
Packing Group: III
IMO
Shipping Name: OXIDIZING SOLID, N.O.S.
Hazard Class: 5.1
UN Number: 1479
Packing Group: III
RID/ADR
Shipping Name: OXIDIZING SOLID, N.O.S.
Hazard Class: 5.1
UN Number: 1479
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: O
Risk Phrases:
R 8 Contact with combustible material may cause
fire.
Safety Phrases:
S 17 Keep away from combustible material.
WGK (Water Danger/Protection)
CAS# 16595-48-5: No information available.
Canada
CAS# 16595-48-5 is listed on Canada's NDSL List.
CAS# 16595-48-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16595-48-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A