98-44-2

• 常用中文名：2-氨基-1,4-苯二磺酸
• 常用英文名：1-Anilino-2,5-disulfonic acid
• CAS号：98-44-2
• 分子式：C₆H₇NO₆S₂
• 分子量：253.253
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸的卤化、磺化、硝化或亚硝化衍生物
• 发布时间：2018-03-07 08:00:00
• 更新时间：2024-01-02 09:22:37

• 用作染料中间体，主要用于制造直接耐晒蓝RGL、活性翠蓝KGL、活性嫩黄和活性橙等。

名称

• 中文名: 苯胺-2,5-二磺酸
• 英文名: Aniline-2,5-disulfonic acid
• 中文别名: 2-氨基-1,4-苯二磺酸
• 英文别名: 1,4-Benzenedisulfonic acid, 2-amino-; EINECS 202-669-6; 1-Anilino-2,5-disulfonic acid; WSQR BZ DSWQ; 2-aminobenzene-1,4-disulfonic acid; MFCD00035753; 2-Amino-1,4-benzenedisulfonic acid

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 500ºC
• 熔点: >300°C
• 分子式: C₆H₇NO₆S₂
• 分子量: 253.253
• 精确质量: 252.971481
• PSA: 151.52000
• LogP: -1.03
• 外观性状: 固体
• 折射率: 1.667
• 储存条件: 1.储存于阴凉、通风的库房。远离火种、热源。保持容器密封。应与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料收容泄漏物。 2.采用内衬塑料袋的木桶包装。每桶５０ｋｇ。贮存于阴凉、通风、干燥处，防热、防火、防潮。按有毒化学品规定贮运。
• 稳定性:

  避免与强氧化剂接触。

  有毒，对皮肤有刺激性，操作中应注意避免吸进或吞入。操作人员应穿戴防护用具，避免沾及皮肤。大鼠经口ＬＤ５０７７６０ｍｇ／ｋｇ。

• 分子结构:

  1、 摩尔折射率：51.06

  2、 摩尔体积（cm³/mol）：137.2

  3、 等张比容（90.2K）：423.1

  4、 介电常数：

  5、 偶极距（10^-24cm³）：

  6、 极化率：20.24

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:7

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积152

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:416

  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

• 更多:

  1. 性状：黄色结晶。

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：>300

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, kPa）：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（mmHg, 40ºC）：未确定

  12. 饱和蒸气压（kPa, 20ºC）：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。

MSDS

Name: 2 5-Disulfoaniline 95% Material Safety Data Sheet Synonym: CAS: 98-44-2 Section 1 - Chemical Product MSDS Name:2 5-Disulfoaniline 95% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 98-44-2 2,5-Disulfoaniline 95% 202-669-6 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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: 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: 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# 98-44-2: 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: Powder Color: off-white 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: Specific Gravity/Density: Molecular Formula: C6H7NO6S2 Molecular Weight: 253.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 98-44-2: CZ9250000 LD50/LC50: CAS# 98-44-2: Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, skin: 500 mg/24H Mild. Carcinogenicity: 2,5-Disulfoaniline - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 98-44-2: 1 Canada CAS# 98-44-2 is listed on Canada's NDSL List. CAS# 98-44-2 is listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 98-44-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 皮肤/眼睛刺激性：标准德来塞实验：兔子皮肤接触，500mg/24HREACTION SEVERITY，轻微反应； 标准德来塞实验：兔子眼睛接触，100mg/24HREACTION SEVERITY，中等反应； 生态学数据: 该物质对水有稍微的危害。 CHEMICAL IDENTIFICATION RTECS NUMBER : CZ9250000 CHEMICAL NAME : p-Benzenedisulfonic acid, 2-amino- CAS REGISTRY NUMBER : 98-44-2 BEILSTEIN REFERENCE NO. : 2660550 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C6-H7-N-O6-S2 MOLECULAR WEIGHT : 253.26 WISWESSER LINE NOTATION : WSQR BZ DSWQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1052,1986 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1052,1986

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• RTECS号: CZ9250000
• 海关编码: 2921499090

合成路线

1245707-84-9 ~90% 98-44-2

文献：Jagadeesh; Karthikeyan; Nithya; Sandhya, Y. Sree; Reddy, S. Sudhaker; Reddy, P. Pradeep Kumar; Kumar, M. Vinod; Charan, K.T. Prabhu; Narender; Bhagat Journal of Molecular Catalysis A: Chemical, 2010 , vol. 328, # 1-2 p. 99 - 107

17691-19-9 7757-83-7 ~% 98-44-2

文献：US5315036 A1, ;

121-47-1 ~% 98-44-2

文献：DE489847 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 382

上下游产品

上游产品  3
17691-19-9 7757-83-7 121-47-1
下游产品  4
121-47-1 69774-80-7 893-39-0 5857-93-2

制备

由间氨基苯磺酸用发烟硫酸磺化后冷却，加水稀释，升温加入活性炭在95℃搅拌脱色，过滤，滤液中加食盐盐析而得。原料消耗定额：间氨基苯磺酸（工业品）715kg/t、发烟硫酸（SO320%）2810kg/t、精盐（工业品）1273kg/t、活性炭22kg/t。

海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 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
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%