1-Naphthalenesulfonicacid
- 中文别名：1-萘磺酸
- 中文释义：1-萘磺酸;萘-1-磺酸;α-萘磺酸
- 英文别名：naphthalene-1-sulfonic acid;
1-naphthalene sulfonic acid;
a-Naphthalenesulfonic acid;
Naphthalene-1-sulphonic acid;
1-Naphthyl sulfonic acid;
1-Sulfonaphthalene;
SULFONATED NAPHTHALENE;
1-naphthalenesulphonic acid;
1-Naphthalenesulfonic acid;
HT 907
- CAS No.：85-47-2
- 分子式：
C10H8O3S
- 分子量：208.23
- 精确分子量：208.01900
- PSA：62.75000
- MDL：MFCD00003987
- InChI：InChI=1/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
- 分子结构式：
物化性质
- 外观与性状：
- 灰色细结晶粉末
- 密度：
- 1.423 g/cm3
- 熔点：
- 77-79 °C(lit.)
- 沸点：
- 392ºC
- 闪点：
- 380.2ºC
- 水溶解性：
- freely soluble
- 折射率：
- 1.616
- 存储条件/存储方法：
密封于阴凉干燥处保存。
- 稳定性相关：
棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水。熔点90℃（水合物），139-140℃（无水物）。易溶于水和乙醇，微溶于乙醚。
- 其它信息：
1. 性状：棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：90℃（水合物），139-140℃（无水物）。
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：易溶于水和乙醇，微溶于乙醚
安全信息
- 外观与性状：
- 灰色细结晶粉末
- 密度：
- 1.423 g/cm3
- 熔点：
- 77-79 °C(lit.)
- 沸点：
- 392ºC
- 闪点：
- 380.2ºC
- 水溶解性：
- freely soluble
- 折射率：
- 1.616
- 存储条件/存储方法：
密封于阴凉干燥处保存。
- 稳定性相关：
棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水。熔点90℃（水合物），139-140℃（无水物）。易溶于水和乙醇，微溶于乙醚。
- 其它信息：
1. 性状：棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：90℃（水合物），139-140℃（无水物）。
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：易溶于水和乙醇，微溶于乙醚
MSDS
| Name: | 1-Naphthalenesulfonic acid dihydrate 94% (titr.) Material Safety Data Sheet |
| Synonym: | |
| CAS: | 85-47-2 |
Section 1 - Chemical Product MSDS Name:1-Naphthalenesulfonic acid dihydrate 94% (titr.) Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 85-47-2 | 1-Naphthalenesulfonic acid, tech., 70% | | 201-610-1 |
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns.
Skin:
May cause severe irritation and possible burns.
Ingestion:
Not available.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
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.
Extinguishing Media:
Not available.
Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal.
Section 7 - HANDLING and STORAGE
Handling:
Not available.
Storage:
Not available.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 85-47-2: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Crystalline powder
Color: gray, fine
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70-80 C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: freely soluble in water
Specific Gravity/Density:
Molecular Formula: C10H8O3S.2H2O
Molecular Weight: 244.27
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 85-47-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Naphthalenesulfonic acid, tech., 70% - 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: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 85-47-2: No information available.
Canada
CAS# 85-47-2 is listed on Canada's DSL List.
CAS# 85-47-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85-47-2 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
N/A
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：54.65
2、 摩尔体积（m3/mol）：146.3
3、 等张比容（90.2K）：405.1
4、 表面张力（dyne/cm）：58.7
5、 极化率（10-24cm3）：21.66
计算化学数据
1、 疏水参数计算参考值（XlogP）：1.9
2、 氢键供体数量：1
3、 氢键受体数量：3
4、 可旋转化学键数量：1
5、 拓扑分子极性表面积（TPSA）：54.4
6、 重原子数量：14
7、 表面电荷：0
8、 复杂度：291
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：0
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：1
