碱性品红

碱性品红 基本信息
CAS号 632-99-5 分子式 C20H20ClN3
分子量 337.84600 精确质量 　337.13500
PSA 　75.89000 LogP 　6.17120
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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 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
632-99-5
3D弹球模型：
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分子式：
C20H20ClN3
分子量：
337.84600
中文名称：
碱性品红
英文名称：
rosanilin
中文别名：
碱性品红;
碱性紫14;
玫瑰苯胺盐酸盐;
盐基品红;
碱性新品红
英文别名：
rosanilin;
magenta powder;
MAGENTA;
Rosaniline;
C.I. Basic Violet 14;
Rosaniline chloride;
Basic magenta;
Basic violet 14;
4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline,hydrochloride;
Fuchsin basic;
Fuchsine;
Fuchsin;
Rosaniline hydrochloride;
Basic fuchsine
精确分子量/精确质量：
337.13500
极性分子表面积/PSA：
75.89000
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：
MFCD00012569
EINECS：
211-189-6
BRN：
4166684
InChI：
InChI=1/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H

生产制备方法及用途展开↓

制备方法

1.制法 将苯胺、对甲苯胺和邻甲苯胺与硝基苯、氯化亚铁在一起熔融,进行氧化缩合,而后用硫酸溶解提取,再经中和、盐析、过滤及干燥即得成品。2.把相等物质量的苯胺、对甲苯胺和邻甲苯胺混合，在含有五氧化二砷的砷酸中一起加热，反应完成后用水浸取，过滤，然后用盐酸酸化，即得碱性品红晶体。

合成制备方法

1. 制法 将苯胺、对甲苯胺和邻甲苯胺与硝基苯、氯化亚铁在一起熔融,进行氧化缩合,而后用硫酸溶解提取,再经中和、盐析、过滤及干燥即得成品。

2.把相等物质量的苯胺、对甲苯胺和邻甲苯胺混合，在含有五氧化二砷的砷酸中一起加热，反应完成后用水浸取，过滤，然后用盐酸酸化，即得碱性品红晶体。

用途简介

用于棉、人造纤维、纸张、皮革的印染，也用于喷漆、墨水等。用于配制席夫试剂检测醛类。用于萃取光度法测定Au3+。也用于光度法检测溴、亚硝酸盐和二氧化硫。用作极谱分析中的极大抑制剂。还用作生化分析的核染料。用于纸张、肥皂、羽毛、麦秆、竹、木等的着色与制造色淀。

用途

1.用于棉、人造纤维、纸张、皮革的印染，也用于喷漆、墨水等。

2.用于配制席夫试剂检测醛类。用于萃取光度法测定 Au3+ 。也用于光度法检测溴、亚硝酸盐和二氧化硫。用作极谱分析中的极大抑制剂。还用作生化分析的核染料。

3.用于纸张、肥皂、羽毛、麦秆、竹、木等的着色与制造色淀。

物化性质展开↓

外观与性状：
黄色至绿色粉末
密度：
0.999 g/mL at 20 °C
熔点：
250 °C
沸点：
589.3ºC at 760 mmHg
闪点：
48 °F
水溶解性：
4 G/L (25 ºC)
折射率：
n20/D 1.334
存储条件/存储方法：
库房低温,通风,干燥
稳定性相关：

远离氧化物。

其它信息：

1.       性状：深绿色结晶性粉末。

2.       密度（g/mL,25/4℃）：0.999

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：250

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：1.334

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：微溶于水，水溶液呈红色。溶于乙醇和戊醇，不溶于醚。

安全信息展开↓

海关代码：
3204130000
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22;R40
安全说明：
7-16-36/37
RTECS号：
CX9850000
安全标志：
:
危险标志：
Xn:Harmful

化学图谱

  1. 碱性品红红外图谱(IR1)

  2. 碱性品红红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CX9850000
CHEMICAL NAME :
Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-yliden e)methyl)-2-methyl-, monohydrochloride
CAS REGISTRY NUMBER :
632-99-5
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C20-H19-N3.Cl-H
MOLECULAR WEIGHT :
337.88
WISWESSER LINE NOTATION :
L6Y DYJ AUYR DZ&R DZ C1& DUM &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
32 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,21,1981 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,57,1974 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 4,57,1974 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,215,1993 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,238,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84118 No. of Facilities: 651 (estimated) No. of Industries: 11 No. of Occupations: 19 No. of Employees: 5303 (estimated) NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84405 No. of Facilities: 719 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 4356 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84118 No. of Facilities: 1281 (estimated) No. of Industries: 6 No. of Occupations: 15 No. of Employees: 12691 (estimated) No. of Female Employees: 8288 (estimated)
生态数据：

对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: Pararosaniline (Fuchsin Basic) Material Safety Data Sheet
Synonym: Basic Violet 14, Hydrochloride; C.I. 42510; Rosaniline Chloride; Magenta
CAS: 632-99-5
Section 1 - Chemical Product   MSDS Name:Pararosaniline (Fuchsin Basic) Material Safety Data Sheet
Synonym:Basic Violet 14, Hydrochloride; C.I. 42510; Rosaniline Chloride; Magenta
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
632-99-5 Pararosaniline (Fuchsin Basic) ca 100 211-189-6
Hazard Symbols: XN
Risk Phrases: 33
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Danger of cumulative effects.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be absorbed through the skin in harmful amounts. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. If absorbed, causes symptoms similar to those of ingestion.
Ingestion:
May cause irritation of the digestive tract. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, and death.
Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood. Exposure may cause anemia and other blood abnormalities.
Inhalation:
May cause respiratory tract irritation. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, tachycardia, dyspnea (labored breathing), and death. May cause effects similar to those described for ingestion. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown blood.
Chronic:
Prolonged or repeated skin contact may cause dermatitis. Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion. Prolonged exposure may cause anemia and methemoglobinemia, characterized by dizziness, drowsiness, headache, breath shortness, cyanosis (bluish skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood.
Chronic exposure can affect thyroid function. May cause pituitary gland abnormalities.
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. Wash clothing before reuse.
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.
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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood.
Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia.
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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use water spray, dry chemical, carbon dioxide, or chemical foam.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 632-99-5: 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:
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: dark green
Odor: Odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 250 deg C dec
Autoignition Temperature: Not applicable.
Flash Point: 200 deg C ( 392.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 200 deg C
Solubility in water: 0.26%
Specific Gravity/Density:
Molecular Formula: C20H20ClN3
Molecular Weight: 337.84
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. However, may decompose if heated.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Aniline is incompatible with acetic anhydride, chlorosulfonic acid, hexachloromelamine, nitric acid , nitric acid + nitrogen tetroxide and sulfuric acid, nitrobenzene and glycerine, oleum, ozone, perchloric acid + formaldehyde, perchromates, performic acid, potassium peroxide, propiolactone(beta), silver perchlorate, sodium peroxide, sulfuric acid, trichloromelamine, oxidizing materials, acids, anilinium chloride, benzenediazonium-2-carboxylate, boron trichloride, 1-chloro-2,3-epoxypropane, dibenzoyl peroxide, nitromethane, nitrous acid, and tetranitromethane.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 632-99-5: CX9850000 LD50/LC50:
Not available.
Carcinogenicity:
Pararosaniline (Fuchsin Basic) - IARC: Group 2B carcinogen Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
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: XN
Risk Phrases:
R 33 Danger of cumulative effects.
Safety Phrases:
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# 632-99-5: No information available.
Canada
CAS# 632-99-5 is listed on Canada's DSL List.
CAS# 632-99-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 632-99-5 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：92.63

2、   摩尔体积（cm3/mol）：258.4

3、   等张比容（90.2K）：676.1

4、   表面张力（dyne/cm）：46.8

5、   极化率（10-24cm3）：36.72

 

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:4

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:7

6.拓扑分子极性表面积75.9

7.重原子数量:24

8.表面电荷:0

9.复杂度:515

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:2

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