2-萘胺-1,5-二磺酸

2-萘胺-1,5-二磺酸 基本信息
CAS号 117-62-4 分子式 C10H9NO6S2
分子量 303.31206 精确质量 　302.98713
PSA 　151.52000 LogP 　3.65820
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
117-62-4
3D弹球模型：
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分子式：
C10H9NO6S2
分子量：
303.31206
中文名称：
2-萘胺-1,5-二磺酸
英文名称：
1,5-Naphthalenedisulfonic acid, 2-amino-
中文别名：
2-萘胺-1,5-二磺酸;
1,5酸;
2-氨基-1,5-萘二磺酸;
异构C酸;
磺化吐氏酸
英文别名：
2-Amino-1,5-naphthalenedisulfonic acid;
2-Naphthylamine-1,5-disulfonic acid;
6-Aminonaphthalene-1,5-disulfonic acid;
NSC 60279;
Sulfotobias acid
精确分子量/精确质量：
302.98713
极性分子表面积/PSA：
151.52000
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：
MFCD00021512
EINECS：
204-201-6
PubChem：
24886125
BRN：
2888645
InChI：
InChI=1/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)/p-2

生产制备方法及用途展开↓

制备方法

用作染料中间体。

用途简介

用途

用作染料中间体。

物化性质展开↓

外观与性状：
米色粉末
密度：
1.769 g/cm3
熔点：
> 300ºC
水溶解性：
soluble
存储条件/存储方法：
库房通风低温干燥
其它信息：

1.      性状：未确定

2.      密度（g/mL,25℃）：1.136

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：未确定

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, ºC）：未确定

12.   饱和蒸气压（kPa, ºC）：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↓

包装等级：
III
风险类别：
8
海关代码：
2921499090
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R34
安全说明：
S26-S28A
RTECS号：
QJ6135000
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
危险标志：
C:Corrosive;

合成路线查看所有的合成路线

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    2-萘胺-5,7-二磺酸

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    2-萘胺-1,5-二磺酸

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    2-萘胺-1,5-二磺酸

  • 81-05-0

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    2-萘胺-1,5-二磺酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QJ6135000
CHEMICAL NAME :
1,5-Naphthalenedisulfonic acid, 2-amino-
CAS REGISTRY NUMBER :
117-62-4
BEILSTEIN REFERENCE NO. :
2888645
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H9-N-O6-S2
MOLECULAR WEIGHT :
303.32
WISWESSER LINE NOTATION :
L66J BSWQ CZ GSWQ

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: -,1058,1986
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: -,1058,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5430 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1058,1986
毒理学数据：

1、    刺激性：兔经皮标准德雷兹染眼实验：500mg/24H   轻度刺激。

            兔经眼标准德雷兹染眼实验：20mg/24H    中度刺激。

2、    急性毒性：大鼠经口LD5O：5430mg/kg

MSDS 展开↓

Name: 2-Amino-1 5-Naphthalenedisulfonic Acid Tech. Material Safety Data Sheet
Synonym: 2-Naphthylamine-1,5-Disulfonic Acid
CAS: 117-62-4
Section 1 - Chemical Product   MSDS Name:2-Amino-1 5-Naphthalenedisulfonic Acid Tech. Material Safety Data Sheet
Synonym:2-Naphthylamine-1,5-Disulfonic Acid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
117-62-4 2-Amino-1,5-Naphthalenedisulfonic Acid ca 100 204-201-6
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
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. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.
Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
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 immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Use only in a well-ventilated area. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 117-62-4: 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 prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C10H9NO6S2
Molecular Weight: 303.29
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 117-62-4: QJ6135000 LD50/LC50:
CAS# 117-62-4: Draize test, rabbit, eye: 20 mg/24H Moderate; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, rat: LD50 = 5430 mg/kg.
Carcinogenicity:
2-Amino-1,5-Naphthalenedisulfonic Acid - 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
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III
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# 117-62-4: 1
Canada
CAS# 117-62-4 is listed on Canada's DSL List.
CAS# 117-62-4 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 117-62-4 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：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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、   摩尔折射率：68.62

2、   摩尔体积（m3/mol）：171.3

3、   等张比容（90.2K）：528.0

4、   表面张力（dyne/cm）：90.1

5、   极化率（10-24cm3）：27.20

计算化学数据

1.疏水参数计算参考值（XlogP）:0.5

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:19

8.表面电荷:0

9.复杂度:531

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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