1,3-二丁基-5-[5-(1,3-二丁基六氢-2,4,6-三氧代-5-嘧啶基)-2,4-戊二烯-1-亚基]-2,4,6(1H,3H,5H)嘧啶三酮

1,3-二丁基-5-[5-(1,3-二丁基六氢-2,4,6-三氧代-5-嘧啶基)-2,4-戊二烯-1-亚基]-2,4,6(1H,3H,5H)嘧啶三酮 基本信息
CAS号 63560-89-4 分子式 C29H42N4O6
分子量 542.66700 精确质量 　542.31000
PSA 　115.38000 LogP 　4.17500
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目录
基本信息 物化性质 MSDS

基本信息 展开↓

CAS号：
63560-89-4
分子式：
C29H42N4O6
分子量：
542.66700
中文名称：
1,3-二丁基-5-[5-(1,3-二丁基六氢-2,4,6-三氧代-5-嘧啶基)-2,4-戊二烯-1-亚基]-2,4,6(1H,3H,5H)嘧啶三酮
英文名称：
1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
中文别名：
1,3-二丁基-5-[5-(1,3-二丁基六氢-2,4,6-三氧代-5-嘧啶基)-2,4-戊二烯-1-亚基]-2,4,6(1H,3H,5H)嘧啶三酮
英文别名：
1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione;
DIBAC4(5);
BIS-(1,3-DIBUTYLBARBITURIC ACID)PENTAMETHINE OXONOL;
Neurodye DiBAC4(5);
1,3-Dibutyl-5-[5-[(1,2,3,6-tetrahydro-4-hydroxy-1,3-dibutyl-2,6-dioxopyrimidin)-5-yl]-2,4-pentadien-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione;
5-[5-(1,3-Dibutyl-2,4-dioxo-6-hydroxy-1,2,3,4-tetrahydropyrimidine-5-yl)-2,4-pentadienylidene]-1,3-dibutylbarbituric acid;
5-[5-[(1,3-Dibutyl-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxopyrimidine)-5-yl]-2,4-pentadiene-1-ylidene]-1,3-dibutylpyrimidine-2,4,6(1H,3H,5H)-trione;
Bisoxonol;
Bis-oxonol
精确分子量/精确质量：
542.31000
极性分子表面积/PSA：
115.38000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。

物化性质展开↓

密度：
1.19g/cm3
沸点：
642.6ºC at 760 mmHg
折射率：
1.575

MSDS 展开↓

Name: Neurodye DiBAC4(5) Material Safety Data Sheet
Synonym: DiBAC4(5) ; Bis-(1,3-dibutyltarbituric acid, pentamethinoxonol, triethylamine sal
CAS: 63560-89-4
Section 1 - Chemical Product   MSDS Name:Neurodye DiBAC4(5) Material Safety Data Sheet
Synonym:DiBAC4(5) ; Bis-(1,3-dibutyltarbituric acid, pentamethinoxonol, triethylamine sal
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
63560-89-4 Neurodye DiBAC4(5) unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 63560-89-4: 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: blue
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C29H42N4O6
Molecular Weight: 542.3172
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Light.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 63560-89-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Neurodye DiBAC4(5) - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 63560-89-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63560-89-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63560-89-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A
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