2-氯-对苯二胺二盐酸盐

2-氯-对苯二胺二盐酸盐 基本信息
CAS号 615-46-3 分子式 C6H9Cl3N2
分子量 215.50800 精确质量 　213.98300
PSA 　52.04000 LogP 　4.27080
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
615-46-3
分子式：
C6H9Cl3N2
分子量：
215.50800
中文名称：
2-氯-对苯二胺二盐酸盐
英文名称：
2-CHLORO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE
中文别名：
2-氯-对苯二胺二盐酸盐;
2-氯对苯二胺二盐酸盐
英文别名：
2-CHLORO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE;
2-Chloro-4-phenylenediamine2HCl;
2-chloro-1,4-benzenediaminedihydrochloride;
2-Chloro-4-phenylenediaminedihydrochloride;
4-benzenediamine,2-chloro-dihydrochloride;
CHLORO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE;
1,4-benzenediamine,2-chloro-,dihydrochloride;
2-chloro-p-phenylenediamindihydrochloride;
2-chlorobenzene-1,4-diammonium dichloride
精确分子量/精确质量：
213.98300
极性分子表面积/PSA：
52.04000
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：
MFCD00042026
EINECS：
210-427-6

物化性质展开↓

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。

稳定性相关：

常温常压下稳定，避免与强氧化剂接触。

其它信息：

1.      性状：棕紫色结晶状粉末

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）：0

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC,12mmHg）：未确定

7.      折射率(n20/D)：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）：＞180

11.   蒸气压（kPa,18 ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：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↓

安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SS8965000
CHEMICAL NAME :
p-Phenylenediamine, 2-chloro-, dihydrochloride
CAS REGISTRY NUMBER :
615-46-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H7-Cl-N2.2Cl-H

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,11,1953
毒理学数据：

1、急性毒性：大鼠经口LD：>500mg/kg；

MSDS 展开↓

Name: 2-Chloro-p-phenylenediamine dihydrochloride 99% (uv-vis) Material Safety Data Sheet
Synonym: 1,4-Benzenediamine, 2-chlorodihydrochlorid
CAS: 615-46-3
Section 1 - Chemical Product   MSDS Name:2-Chloro-p-phenylenediamine dihydrochloride 99% (uv-vis) Material Safety Data Sheet
Synonym:1,4-Benzenediamine, 2-chlorodihydrochlorid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
615-46-3 2-Chloro-p-phenylenediamine dihydrochl 99 210-427-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
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:
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.
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:
Use agent most appropriate to extinguish fire. 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 or absorb material, then place into a suitable clean, dry, closed 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 615-46-3: 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: Crystalline powder
Color: tan to brownish-purple
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: C6H7ClN2.2HCl
Molecular Weight: 215.51
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 615-46-3: SS8965000 LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-p-phenylenediamine dihydrochloride - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 615-46-3: No information available.
Canada
CAS# 615-46-3 is listed on Canada's NDSL List.
CAS# 615-46-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 615-46-3 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、   疏水参数计算参考值（XlogP）：1.6

2、   氢键供体数量：2

3、   氢键受体数量：2

4、   可旋转化学键数量：0

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：52

7、   重原子数量：9

8、   表面电荷：0

9、   复杂度：97.1

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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