4-甲基邻苯二胺

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

4-甲基邻苯二胺 基本信息

中文名称:
4-甲基邻苯二胺 
中文别名:
4-甲氧基邻苯二胺;
4-甲基邻苯二胺 
英文名称:
1,2-Benzenediamine,4-methoxy-
英文别名:
4-Methoxy-O-Phenylenediamine;
4-methoxybenzene-1,2-diamine;
3,4-Diaminoanisole 
CAS No.:
102-51-2
分 子 式:
C7H10N2O
分 子 量:
138.17
精确分子量:
138.07900
PSA:
61.27000
MDL:
MFCD00047837
InChI:
InChI=1/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
风险术语:
R23/24/25;R36/37/38
安全术语:
S26;S45;S36/37/39
分子结构式:
SDS:
查看

4-甲基邻苯二胺 制备方法及用途

制备方法

由3-硝基对氨基甲醚用铁粉还原而得。将60%的乙酸和3-硝基对氨基苯甲醚加入还原釜中,搅拌0.5h,加入铁粉。加热至60℃,保温反应直至料液渗圈无色即为终点,还原生成4-甲氧基邻苯二胺。

合成制备方法

由3-硝基对氨基甲醚用铁粉还原而得。将60%的乙酸和3-硝基对氨基苯甲醚加入还原釜中,搅拌0.5h,加入铁粉。加热至60℃,保温反应直至料液渗圈无色即为终点,还原生成4-甲氧基邻苯二胺。

用途简介

染料中间体。用于生产染料分散荧光黄Ⅱ。

用途

染料中间体。用于生产染料分散荧光黄Ⅱ。

4-甲基邻苯二胺 物化性质

外观与性状:
暗褐色黑色固体
密度:
1.17g/cm3
熔点:
46-48°C
沸点:
302.4ºC at 760mmHg
闪点:
161.7ºC
折射率:
1.619
蒸汽压:
0.000994mmHg at 25°C
存储条件/存储方法:

储存于阴凉、通风的库房。远离火种、热源。防止阳光直射。保持容器密封。应与氧化剂分开存放,切忌混储。配备相应品种和数量的消防器
稳定性相关:

避免与氧化剂接触。

其它信息:

1.      性状:绿色片状结晶

2.      密度(g/mL,25℃):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):50~52

5.      沸点(ºC):167~170

6.      沸点(ºC, mmHg):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,20ºC):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:溶于乙醚

4-甲基邻苯二胺 安全信息

海关代码:
2922299090
危险类别码:
R23/24/25
安全说明:
S26-S36/37/39-S45
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。
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:
Xi: Irritant;

4-甲基邻苯二胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ST2690000
CHEMICAL NAME :
o-Phenylenediamine, 4-methoxy-
CAS REGISTRY NUMBER :
102-51-2
BEILSTEIN REFERENCE NO. :
0878789
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H10-N2-O
MOLECULAR WEIGHT :
138.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Human Fibroblast
DOSE/DURATION :
50 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 127,107,1984
毒理学数据:

致突变性:DNA损害试验:人体成纤维细胞,50μmol/L;

生态数据:

该物质对水有稍微的危害。

4-甲基邻苯二胺 MSDS

Name: 4-Methoxy-o-phenylenediamine Material Safety Data Sheet
Synonym:
CAS: 102-51-2
Section 1 - Chemical Product   MSDS Name:4-Methoxy-o-phenylenediamine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
102-51-2 4-Methoxy-o-phenylenediamine unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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:
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.)

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# 102-51-2: Personal Protective Equipment Eyes: Not available.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 46 - 48 deg C
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: C7H10N2O
Molecular Weight: 138.0828

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 102-51-2: ST2690000 LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxy-o-phenylenediamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 102-51-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 102-51-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102-51-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-甲基邻苯二胺 海关数据

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-甲基邻苯二胺 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:41.40

2、   摩尔体积(cm3/mol):117.9

3、   等张比容(90.2K):315.6

4、   表面张力(dyne/cm):51.1

5、   介电常数:

6、   偶极距(10-24cm3):

7、 极化率:16.41

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:2

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积61.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:108

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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