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2-氨基-1,4-苯二磺酸 | 98-44-2

2-氨基-1,4-苯二磺酸
2-Aminobenzene-1,4-disulfonic Acid (>90%)
98-44-2
C6H7NO6S2
253.2529
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-氨基-1,4-苯二磺酸结构式
2-氨基-1,4-苯二磺酸MOL
60988
名称和标识符
MDL MFCD00035753
InChIKey LDCCBULMAFILCT-UHFFFAOYSA-N
Inchi 1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
SMILES S(C1C([H])=C([H])C(=C([H])C=1N([H])[H])S(=O)(=O)O[H])(=O)(=O)O[H]
BRN 2660550
别名信息
- 中文别名 -
  • 2-氨基-1,4-苯二磺酸
  • 苯胺-2,5-双磺酸
  • 苯胺-2,5-二磺酸
  • 苯胺-2.5-双磺酸
- 英文别名 -
  • 2-Aminobenzene-1,4-disulfonic acid
  • Aniline-2,5-disulfonic acid
  • 2,5-Disulfoaniline
  • 2-Amino-1,4-benzenedisulfonic acid
  • 1-Amino-2,5-benzenedisulfonic acid
  • 4-Sulfometanilic acid
  • 2-Amino-p-benzenedisulfonic acid
  • 1,4-BENZENEDISULFONIC ACID, 2-AMINO-
  • 2-Amino-1,4-disulfobenzene
  • 2,5-Disulfo-1-aminobenzene
  • 2-Aminobenzene-1,4-disulphonic acid
  • 1-Anilino-2,5-disulfonic acid
  • p-Benzenedisulfonic acid, 2-amino-
  • Kyselina anilin-2,5-disulfonova
  • 5E2OT6T
  • 3-14-00-02260 (Beilstein Handbook Reference)
  • 6-AMINOBENZENE-1,4-DISULFONIC ACID
  • MFCD00035753
  • EINECS 202-669-6
  • A845862
  • NSC5580
  • Tox21_301960
  • Kyselina anilin-2,5-disulfonova [Czech]
  • UNII-5E2OT6T2PS
  • FT-0607352
  • DTXCID6024751
  • NSC 5580
  • C6H7NO6S2
  • BRN 2660550
  • 3-aminobenzene-1,2-disulfonic acid
  • 2,5-disulfoaniline, AldrichCPR
  • NCGC00256123-01
  • D95943
  • CHEMBL3184682
  • LDCCBULMAFILCT-UHFFFAOYSA-N
  • AI3-23218
  • Q27261901
  • AS-12819
  • CAS-98-44-2
  • DTXSID8044751
  • SCHEMBL149375
  • Aniline 2,5-disulfonic acid
  • aniline 2,5 disulphonic acid
  • 5E2OT6T2PS
  • WLN: WSQR BZ DSWQ
  • 98-44-2
  • NS00005495
  • 1-Aminobenzene-2,5-disulfonic acid
  • AKOS015854615
  • NSC-5580
  • EC 202-669-6
  • 2-Aminobenzene-1,4-disulfonic Acid (>90%)
物化性质
实验特性
LogP 2.50500
PSA 151.52000
折射率 1.5500 (estimate)
水溶性 Slightly soluble in water.
沸点 500
熔点 >360°C
闪点 No data available
颜色与性状 黄色结晶。
溶解性 易溶于水和乙醇。
密度 1.569 (estimate)
计算特性
精确分子量 252.97100
氢键供体数量 3
氢键受体数量 7
可旋转化学键数量 2
同位素质量 252.971478
重原子数量 15
复杂度 416
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 1
疏水参数计算参考值(XlogP) -0.2
互变异构体数量
表面电荷 0
拓扑分子极性表面积 152
国际标准相关数据
EINECS 5580
海关数据
海关编码 2921499090
海关数据

中国海关编码:

2921499090

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%

相关文献
专业数据库参考
PubChemId 60988
参考资料
Beilstein 202-669-6
2-氨基-1,4-苯二磺酸 MSDS
基础信息
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
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