62625-28-9 (溴酚蓝钠盐,Brom0phenol blue sodium)

CAS号:
62625-28-9
中文名称:
溴酚蓝钠盐
英文名称:
Brom0phenol blue sodium
分子式:
C19H9Br4NaO5S
分子量:
691.942532300949

溴酚蓝钠盐(62625-28-9)名称与标识符

名称

中文别名:
溴酚蓝钠盐;溴苯酚蓝钠盐;溴酚蓝;溴酚蓝钠盐 水溶液 指示剂;溴酚蓝,钠盐;美国药典 溴酚蓝TS;日本药典 溴酚蓝TS;欧洲药典 溴酚蓝溶液;国际药典 溴酚蓝TS;印度药典 溴酚蓝溶液;
英文别名:
Bromophenol Blue sodium salt;3',3'',5',5''-Tetrabromophenolsulfophthalein sodium salt;BROMOPHENOL BLUE SODIUM SALT INDICATOR;BromophenolBlue,sodiumsalt,watersoluble,indicator,pure100GR;BromophenolBlue,sodiumsalt,watersoluble,indicator,pure25GR;BromophenolBlue,sodiumsalt,watersoluble,indicator,pure5GR;sodium,2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate;BroMophenol Blue sodiuM salt, ACS reagent;Bromophenol Blue sodium salt, conform to ACS, pure;BROMOPHENOLBLUE-SODIUMSALT;Bromphenol blue, sodium salt;3',3",5',5"-Tetrabromophenolsulfophthalein sodium salt;Brom0phenol blue sodium;phenol,4,4’-(3h-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,s,s-dioxide,mono;BROMOPHENOL BLUE ETHANOL(50);BROMOPHENOL BLUE LOADING SOLUTION;BROMPHENOL BLUE SULTONE FORM;BROMPHENOL BLUE;BROMOPHENOL BLUE SULFONE FORM;BROMOPHENOL BLUE TS;3',3'',5'5''-TETRABROMOPHENOL-SULFONTHALEIN;Phenol, 4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide, monosodium salt;Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,monosodium salt;AKOS015903288;DTXSID5069596;SCHEMBL146108;J-019732;MFCD00013793;NS00056262;B3195;Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, monosodium salt;S0043;EINECS 263-653-2;B-8959;Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, sodium salt (1:1);Sodium alpha-(3,5-dibromo-4-oxo-2,5-cyclohexadienylidene)-alpha-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate;62625-28-9;AS-84123;sodium;2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate;sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate;AKOS024364980;

标识符

InChIKey:
TWKDJMRHSLWRFI-UHFFFAOYSA-M
Inchi:
1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
SMILES:
BrC1C(=C(C=C(C=1)/C(=C1/C=C(C(C(=C/1)Br)=O)Br)/C1C=CC=CC=1S(=O)(=O)[O-])Br)O.[Na+]

溴酚蓝钠盐(62625-28-9)物化性质

实验特性

  • LogP : 7.62510
  • PSA : 102.88000
  • 水溶性 : 溶解
  • 沸点 : Not available
  • 熔点 : 300 ºC
  • 蒸气压 : Not available
  • 闪点 : Not available
  • 溶解度 : Solubility Soluble in water, ethanol
  • 颜色与性状 : 无色或浅红色结晶。
  • 稳定性 : Stable. Incompatible with strong oxidizing agents.
  • 溶解性 : 溶于水,溶液呈蓝色。
  • 酸度系数(pKa) : 4.0, 3.85, 3.6(at 25℃)
  • 最大波长(λmax) : 589nm, 383nm
  • 酸碱指示剂变色ph值范围 : Yellow (3.0) to blue (4.6)
  • 密度 : 0.954 g/mL at 20 °C

计算特性

  • 精确分子量 : 687.68000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 687.68019g/mol
  • 重原子数量 : 30
  • 复杂度 : 844
  • 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 : 0
  • 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 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 103Ų

溴酚蓝钠盐(62625-28-9)国际标准相关数据

EINECS:
263-653-2

溴酚蓝钠盐(62625-28-9)海关数据

海关编码:
29349990

溴酚蓝钠盐(62625-28-9)上下游

溴酚蓝钠盐(62625-28-9)参考资料

Reaxys RN:
PubChem CID:

溴酚蓝钠盐(62625-28-9) MSDS

基础信息

Name:Bromophenol Blue Sodium Salt Reagent ACS Material Safety Data Sheet
Synonym:4,4'-(3h-1,2 benzoxathiol-3-ylidene)bis(2,6-dibromophenol s,s-dioxide monosodium sal
CAS:62625-28-9
Section 1 - Chemical Product ? MSDS Name:Bromophenol Blue Sodium Salt Reagent ACS Material Safety Data Sheet
Synonym:4,4'-(3h-1,2 benzoxathiol-3-ylidene)bis(2,6-dibromophenol s,s-dioxide monosodium sal

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
62625-28-9Bromophenol blue, sodium salt100263-653-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. This product contains an anionic dye.
Similar dyes have not caused injury to the cornea or conjunctiva in documented exposure cases with human or rabbit eyes.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
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 if cough or other symptoms appear.
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:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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# 62625-28-9: 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: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not applicable.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C19H9Br4NaO5S
Molecular Weight: 691.95

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 62625-28-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bromophenol blue, sodium salt - 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: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 62625-28-9: No information available.
Canada
CAS# 62625-28-9 is listed on Canada's DSL List.
CAS# 62625-28-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62625-28-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A