2-磺基苯甲酸

2-磺基苯甲酸 基本信息
CAS号 632-25-7 分子式 C7H6O5S
分子量 202.18500 精确质量 　201.99400
PSA 　100.05000 LogP 　1.71230
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
632-25-7
3D弹球模型：
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分子式：
C7H6O5S
分子量：
202.18500
中文名称：
2-磺基苯甲酸
英文名称：
2-Sulfobenzoic acid
中文别名：
2-磺基苯甲酸;
邻磺基苯甲酸;
美洛昔康杂质杂质;
2-硫代苯甲酸
英文别名：
2-Sulfobenzoic acid;
ORTHO-SULPHOBENZOICACID;
2-Carboxybenzenesulfonic acid;
2-SULFOBENZOIC ACID UNHYDRATE;
hydroxysulfonylbenzoic acid;
2-sulfobenzenecarboxylic acid;
2-sulphobenzoic acid;
ortho-sulfobenzoic acid;
2-sulfo-benzoicaci;
o-Carboxybenzenesulfonic acid;
O-SULFOBENZOIC ACID;
2-Carboxybenzenesulphonic acid;
sulfobenzoic acid
精确分子量/精确质量：
201.99400
极性分子表面积/PSA：
100.05000
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。
贝尔斯坦号/MDL：
MFCD00007479
EINECS：
211-176-5
InChI：
InChI=1/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)/p-2

物化性质展开↓

外观与性状：
白色固体
密度：
1.62 g/cm3
熔点：
142 °C
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。远离腐蚀区。

稳定性相关：

避免与不相容材料接触。与强碱，强氧化剂反应。

其它信息：

1.      性状：白色固体

2.      密度（g/mL,25℃）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：142

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC,30mmHg）：未确定

7.      折射率(n20/D)：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,20ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：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：未确定

安全信息展开↓

海关代码：
2916399090
危险类别码：
R22;R34
安全说明：
S45-S36/37/39-S26
危险标志：
C:Corrosive;

合成路线查看所有的合成路线

  • 81-07-2

    糖精

  • →

    ~87%

  • 632-25-7

    2-磺基苯甲酸

  • 22185-11-1

    2-(dimethylsulfamoyl)benzoic acid

  • →

    ~32%

  • 632-25-7

    2-磺基苯甲酸

  • +

  • 87223-42-5

    87223-42-5

  • 98-87-3

    二氯苄

  • +

  • 7664-93-9

    硫酸

  • →

  • 632-25-7

    2-磺基苯甲酸

  • +

  • 121-53-9

    3-硫苯甲酸

MSDS 展开↓

Name: 2-Sulfobenzoic acid Material Safety Data Sheet
Synonym:
CAS: 632-25-7
Section 1 - Chemical Product   MSDS Name:2-Sulfobenzoic acid Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
632-25-7 2-Sulfobenzoic acid 211-176-5
Hazard Symbols: C
Risk Phrases: 22 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
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. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
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.
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 foam, dry chemical, or carbon dioxide.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.
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# 632-25-7: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 142 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H6O5S
Molecular Weight: 202.19
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 632-25-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Sulfobenzoic acid - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 632-25-7: No information available.
Canada
CAS# 632-25-7 is listed on Canada's NDSL List.
CAS# 632-25-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 632-25-7 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2916399090

概述：
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary：
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据

1、   疏水参数计算参考值（XlogP）：0.8

2、   氢键供体数量：0

3、   氢键受体数量：5

4、   可旋转化学键数量：0

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：97.3

7、   重原子数量：13

8、   表面电荷：-2

9、   复杂度：270

10、同位素原子数量：0

11、确定原子立构中心数量：0

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：0

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

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