溴甲酚绿钠盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

溴甲酚绿钠盐 基本信息

中文名称:
溴甲酚绿钠盐 
中文别名:
溴甲酚绿钠盐;
3,3',5,5'-四溴間甲磺酚酞;
溴甲酚綠 
英文名称:
Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-,sodium salt (1:1)
英文别名:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1);
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, monosodium salt (9CI);
Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide, monosodium salt;
3H-2,1-Benzoxathiole, phenol deriv.;
Bromocresol Green sodium;
Bromocresol Green sodium salt 
CAS No.:
67763-24-0
分 子 式:
C21H14Br4O5S.Na
分 子 量:
720.00
精确分子量:
716.71931
PSA:
126.27000
EINECS:
263-657-4
InChI:
The Key: HEFSGAHJDGZCHA-UHFFFAOYSA-M
风险术语:
R20/21/22;
安全术语:
S24/25;
分子结构式:
SDS:
查看

溴甲酚绿钠盐 物化性质

密度:
0.981
熔点:
225ºC
沸点:
100ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。

稳定性相关:

远离氧化物

其它信息:

1.       性状:深棕色固体。

2.       密度(g/mL,25/4):0.981

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):230

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于水。

溴甲酚绿钠盐 安全信息

危险类别码:
R20/21/22
安全说明:
S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

溴甲酚绿钠盐 毒理性

生态数据:

勿将材料排入水渠

溴甲酚绿钠盐 MSDS

Name: Bromocresol Green Sodium Salt Reagent ACS 95% (UV-Vis) Material Safety Data Sheet
Synonym: 4,4'-(3H-1,2-Benzoxathiol-3-Yliden)Bis(2,6-Dibromo-3-Methylphenol S,S-Dioxide Monodosium Salt
CAS: 67763-24-0
Section 1 - Chemical Product   MSDS Name:Bromocresol Green Sodium Salt Reagent ACS 95% (UV-Vis) Material Safety Data Sheet
Synonym:4,4'-(3H-1,2-Benzoxathiol-3-Yliden)Bis(2,6-Dibromo-3-Methylphenol S,S-Dioxide Monodosium Salt

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
67763-24-0 Bromocresol Green Sodium Salt 95 unlisted
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:
Dust may cause mechanical 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 if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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:

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. Use extinguishing media appropriate to the surrounding fire. Substance is noncombustible.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.

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 or absorb material, then place into a suitable clean, dry, closed container for disposal. 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 skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

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# 67763-24-0: 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 minimize contact with skin.
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: brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not applicable.
Viscosity: Not applicable.
Boiling Point: Not applicable.
Freezing/Melting Point: decomposes
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 230 deg C
Solubility in water: soluble in water
Specific Gravity/Density: Not available.
Molecular Formula: C21H13Br4O5SNa
Molecular Weight: 719.7538

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:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 67763-24-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bromocresol Green 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 67763-24-0: No information available.
Canada
CAS# 67763-24-0 is listed on Canada's NDSL List.
CAS# 67763-24-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 67763-24-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

溴甲酚绿钠盐 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:1

3、   氢键受体数量:5

4、   可旋转化学键数量:2

5、   拓扑分子极性表面积(TPSA):86.7

6、   重原子数量:32

7、   表面电荷:0

8、   复杂度:785

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:1

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

 

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