N,N-二甲基对苯二胺二盐酸盐

N,N-二甲基对苯二胺二盐酸盐 基本信息
CAS号 536-46-9 分子式 C8H14Cl2N2
分子量 209.11600 精确质量 　208.05300
PSA 　29.26000 LogP 　3.52000
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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 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
536-46-9
3D弹球模型：
立即前往扯扯看
分子式：
C8H14Cl2N2
分子量：
209.11600
中文名称：
N,N-二甲基对苯二胺二盐酸盐
英文名称：
N,N-DIMETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE
中文别名：
N,N-二甲基对苯二胺二盐酸盐;
N,N-二甲基对苯二胺,盐酸盐;
4-氨基-N,N-二甲基苯胺二盐酸盐;
N,N-二甲基-1,4-苯二胺二盐酸盐;
4-氨基-N,N-二甲基苯胺盐酸盐;
DMPPDA·2HCl
英文别名：
N,N-DIMETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE;
usafek-7423;
N,N-Dimethyl-p-phenylenediamine dihydrochloride;
DMPPDA 2HCL;
N,N-dimethyl-1,4-phenylenediamine dihydrochloride;
N,N-dimethyl-1,4-phenylenendiamine dihydrochloride;
N,N-Dimethyl-p-phenylenediammonium Dichloride;
1,4-(N,N-dimethyl)phenylenediamine dihydrochloride;
NNDIMETHYLPARAPHENYLENEDIAMINE;
N,N-Dimethyl-1,4-phenylenediamine Dihydrochloride;
DMPPDA2HC1;
N,N'-(dimethylamino)-1,4-phenylenediamine dihydrochloride;
4-Amino-N,N-dimethylaniline dihydrochloride;
N,N-DIMETHYL-P-PHENYLENEDIAMINE DI HCL;
DMPD 2HCL;
N,N-Dimethyl-p-phenylenediami;
N,N-DIMETHYL-P-PHENYLENEDIAMINE 2HCL;
4-Dimethylaminoaniline Dihydrochloride;
DIMETHYLAMINOANILINE;
DMPPDA.2HCl;
N,NDimethylPPhenylenediamineDihclGr;
N,N,-dimethyl-p-phenylenediamine dihydrochloride
精确分子量/精确质量：
208.05300
极性分子表面积/PSA：
29.26000
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：
MFCD00012991
EINECS：
208-635-7
BRN：
3913463
InChI：
InChI=1/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H

生产制备方法及用途展开↓

制备方法

1.用工业盐酸溶解二甲基苯胺，并冷至0～5℃，然后将亚硝酸钠溶液加到二甲基苯胺的酸溶液中，进行亚硝化反应。反应结束后，滤出对亚硝基N,N-二甲基苯胺，用浓盐酸洗涤后滤干，再用浓盐酸溶解。在冷却和搅拌下，分次少量加入还原锌粉，温度控制在30℃左右。当溶液完全脱色后，冷却，再加入25%的氢氧化钠至强碱性，过滤后的滤液静置分层，水层加乙醚提取，回收乙醚后与油层合并进行减压蒸馏5.732kPa下收集164～165℃馏分，将收集到的馏分倒入盐酸，脱色过滤，浓缩，用丙酮析出结晶，滤干后即为成品N,N-二甲基对苯二胺盐酸盐。过程反应式为：

合成制备方法

1. 用工业盐酸溶解二甲基苯胺，并冷至0～5℃，然后将亚硝酸钠溶液加到二甲基苯胺的酸溶液中，进行亚硝化反应。反应结束后，滤出对亚硝基N,N- 二甲基苯胺，用浓盐酸洗涤后滤干，再用浓盐酸溶解。在冷却和搅拌下，分次少量加入还原锌粉，温度控制在30℃左右。当溶液完全脱色后，冷却，再加入25%的氢氧化钠至强碱性，过滤后的滤液静置分层，水层加乙醚提取，回收乙醚后与油层合并进行减压蒸馏5.732kPa下收集164～165℃馏分，将收集到的馏分倒入盐酸，脱色过滤，浓缩，用丙酮析出结晶，滤干后即为成品N,N-二甲基对苯二胺盐酸盐。过程反应式为：

用途简介

适用于过氧化物酶测试，环保试剂,农药。

用途

1.适用于过氧化酶测试，环保试剂。

2. 用作薄层色谱法检测有机过氧化物的试剂。还用于硫化氢、硫化物等的分析测试。

3.显色反应检验氧化剂，钒的测验，空气中氯气、溴和臭氧的检验。

物化性质展开↓

密度：
0.94g/cm3
熔点：
222 °C (dec.)(lit.)
沸点：
211.6ºC at 760mmHg
闪点：
84.2ºC
存储条件/存储方法：

充氮气密封避光干燥保存，储存温度为-20℃。

  

稳定性相关：

 1.暴露在空气会变黑。

2.易吸潮，吸入、口服或接触皮肤有毒，大量使用应穿适当的防护服。

 

其它信息：

1.       性状：白色至灰色粉末

2.       密度（g/ cm3,25/4℃）：未确定

3.       相对蒸汽密度（g/cm3,空气=1）：未确定

4.       熔点（ºC）：199

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,8kPa）：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（mm Hg,20ºC）：未确定

12.    饱和蒸气压（kPa,55.1ºC）：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：易溶于水、乙醇、苯和三氯甲烷中，微溶于乙醚。与有机过氧化物反应产生紫红色产物。

安全信息展开↓

包装等级：
III
风险类别：
6.1
海关代码：
2921590090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R23/24/25
安全说明：
S36/37-S45
RTECS号：
ST1750000
安全标志：
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
T:Toxic;

化学图谱

  1. N,N-二甲基对苯二胺二盐酸盐红外图谱(IR1)

  2. N,N-二甲基对苯二胺二盐酸盐红外图谱(IR2)

  3. N,N-二甲基对苯二胺二盐酸盐核磁图(13CNMR)

  4. N,N-二甲基对苯二胺二盐酸盐核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ST1300000
CHEMICAL NAME :
p-Phenylenediamine, N,N-dimethyl-, dihydrochloride
CAS REGISTRY NUMBER :
536-46-9
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H12-N2.2Cl-H
MOLECULAR WEIGHT :
209.14
WISWESSER LINE NOTATION :
ZR DN1&1 &GH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD404-218 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83511 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 700 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83511 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)
毒理学数据：

急性毒性：小鼠经腹腔LC50：25mg/kg，除致死剂量外无详细说明；

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: N N-Dimethyl-P-Phenylenediamine Dihydrochloride 99% Material Safety Data Sheet
Synonym: USAF EK-742
CAS: 536-46-9
Section 1 - Chemical Product   MSDS Name:N N-Dimethyl-P-Phenylenediamine Dihydrochloride 99% Material Safety Data Sheet
Synonym:USAF EK-742
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
536-46-9 N,N-Dimethyl-p-Phenylenediamine Dihydr 99 208-635-7
Hazard Symbols: T
Risk Phrases: 23/24/25
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Hygroscopic (absorbs moisture from the air).Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause digestive tract disturbances. 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 immediately.
Skin:
Get medical aid immediately. 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 immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.
Provide ventilation. Do not get water inside containers.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light.
Do not allow contact with water. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 536-46-9: 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: Chunks
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 222 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: freely soluble
Specific Gravity/Density:
Molecular Formula: C8H12N2.2HCl
Molecular Weight: 209.12
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 536-46-9: ST1300000 LD50/LC50:
Not available.
Carcinogenicity:
N,N-Dimethyl-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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
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# 536-46-9: No information available.
Canada
CAS# 536-46-9 is listed on Canada's DSL List.
CAS# 536-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 536-46-9 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：2921590090

概述：
2921590090. 其他芳香多胺及衍生物及它们的盐. 增值税率:17.0%. 退税率:13.0%. 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：
2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . 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

暂无

计算化学数据

1、   疏水参数计算参考值（XlogP）：

2、   氢键供体数量：3

3、   氢键受体数量：2

4、   可旋转化学键数量：1

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：29.3

7、   重原子数量：12

8、   表面电荷：0

9、   复杂度：93.4

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：3

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