碱性紫 2

碱性紫 2 基本信息
CAS号 3248-91-7 分子式 C22H24ClN3
分子量 365.89900 精确质量 　365.16600
PSA 　75.89000 LogP 　6.86970
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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

基本信息 展开↓

CAS号：
3248-91-7
分子式：
C22H24ClN3
分子量：
365.89900
中文名称：
碱性紫 2
英文名称：
new fuchsin
中文别名：
碱性紫 2;
C.I.新品红;
新品红;
4-[(4-氨基-3-甲基苯基)(4-亚氨基-3-甲基-2,5-环己二烯-1-亚基)甲基]-2-甲基苯胺盐酸盐;
碱性紫2;
三甲基品红
英文别名：
new fuchsin;
Isorubin;
new;
isorubine;
FUCHSIN N;
FUCHSIN,NEW;
fuchsinnb;
New Fuchsin;
MAGENTA III;
FUCHSIN;
Basic Violet 2
精确分子量/精确质量：
365.16600
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：
MFCD00012567
EINECS：
221-831-7
BRN：
8740867

生产制备方法及用途展开↓

制备方法

细菌细胞壁染色。

用途简介

用途

细菌细胞壁染色。

物化性质展开↓

外观与性状：
深紫色固体
沸点：
578.1ºC at 760 mmHg
闪点：
303.4ºC
存储条件/存储方法：

本品应密封干燥保存。

稳定性相关：

常温常压下稳定，    粉末。为碱性品红中的组成
成分之一。溶于乙醇和水。最大吸收波长553nm。有刺激性。

其它信息：

1.       性状： 不溶于水

2.       密度（g/mL,25/4℃）： 1.001

3.       相对蒸汽密度（g/mL,空气=1）：

4.       熔点（ºC）：-44                                                      
 5.       沸点（ºC,常压）：                                                        

6.       沸点（ºC,5.2kPa）： 95

7.       折射率： 1.427

8.       闪点（ºC）： 78                     
 9.       比旋光度（º）：

10.    自燃点或引燃温度（ºC）：

11.    蒸气压（kPa,25ºC）：

12.    饱和蒸气压（kPa,60ºC）：

13.    燃烧热（KJ/mol）：

14.    临界温度（ºC）：

15.    临界压力（KPa）：

16.    油水（辛醇/水）分配系数的对数值：

17.    爆炸上限（%,V/V）：

18.    爆炸下限（%,V/V）：

19.    溶解性：

安全信息展开↓

海关代码：
32041300
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36
安全说明：
S26-S36/37-S24/25
RTECS号：
CX9825000
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：
Xi

化学图谱

  1. C.I.新品红核磁图(1HNMR)

  2. C.I.新品红核磁图(13CNMR)

  3. C.I.新品红红外图谱(IR1)

  4. C.I.新品红红外图谱(IR2)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CX9825000
CHEMICAL NAME :
Benzenamine, 4-((4-amino-3-methylphenyl)(4-imino-3-methyl-2,5-cycl ohexadien-1-ylidene)m ethyl)-2-methyl-, monohydrochloride
CAS REGISTRY NUMBER :
3248-91-7
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C22-H23-N3.Cl-H
MOLECULAR WEIGHT :
365.94
生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: New Fuchsin Material Safety Data Sheet
Synonym: Basic Violet 2; C.I. 42520; Magenta III; Aniline, 4-[(4-amino-3-methylphenyl)(4-imino- 3-methyl-2,5-cyclohexadien-1-ylide; Benzenamine
CAS: 3248-91-7
Section 1 - Chemical Product   MSDS Name:New Fuchsin Material Safety Data Sheet
Synonym:Basic Violet 2; C.I. 42520; Magenta III; Aniline, 4-[(4-amino-3-methylphenyl)(4-imino- 3-methyl-2,5-cyclohexadien-1-ylide; Benzenamine
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3248-91-7 New Fuchsin ca. 100 221-831-7
Hazard Symbols: XI
Risk Phrases: 36
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3248-91-7: 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: dark green
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C22H24ClN3
Molecular Weight: 365.89
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3248-91-7: CX9825000 LD50/LC50:
Not available.
Carcinogenicity:
New Fuchsin - 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
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: XI
Risk Phrases:
R 36 Irritating to eyes.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3248-91-7: No information available.
Canada
CAS# 3248-91-7 is listed on Canada's DSL List.
CAS# 3248-91-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3248-91-7 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↓

计算化学数据

1、   氢键供体数量：4

2、   氢键受体数量：3

3、   可旋转化学键数量：2

4、   拓扑分子极性表面积（TPSA）：75.9

5、   重原子数量：26

6、   表面电荷：0

7、   复杂度：585

8、   同位素原子数量：0

9、   确定原子立构中心数量：0

10、   不确定原子立构中心数量：0

11、   确定化学键立构中心数量：0

12、   不确定化学键立构中心数量：0

13、   共价键单元数量：2

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