4-氯-5-氟邻苯二胺

4-氯-5-氟邻苯二胺 基本信息
CAS号 139512-70-2 分子式 C6H6ClFN2
分子量 160.57700 精确质量  160.02000
PSA  52.04000 LogP  2.80590

基本信息 展开↓

CAS号:
139512-70-2
3D弹球模型:
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分子式:
C6H6ClFN2
分子量:
160.57700
中文名称:
4-氯-5-氟邻苯二胺
英文名称:
4-Chloro-5-fluorobenzene-1,2-diamine
中文别名:
4-氯-5-氟邻苯二胺;
4-氯-5-氟-邻苯二胺;
4-氯-5-氟-邻苯基二胺
英文别名:
4-Chloro-5-fluorobenzene-1,2-diamine;
4-CHLORO-5-FLUORO-O-PHENYLENEDIAMINE;
4-Chloro-5-fluoro-o-phenylenediamine
精确分子量/精确质量:
160.02000
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:
MFCD00042485
InChI:
The Key: BSMPRJISGCTCDC-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
灰色至淡棕色粉末
密度:
1.457g/cm3
熔点:
110-112 °C
沸点:
316.2ºC at 760mmHg
闪点:
145ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物

其它信息:

1.        性状:灰色至亮棕色粉末

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):110-112

5.         沸点(ºC,常压):未确定

6.         沸点(ºC, KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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↓

危险类别码:
R20/21/22;R36/37/38
安全说明:
S36/37/39-S26
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:
Xn:Harmful;

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 4-Chloro-5-fluorobenzene-1 2-diamine Material Safety Data Sheet
Synonym:
CAS: 139512-70-2
Section 1 - Chemical Product   MSDS Name:4-Chloro-5-fluorobenzene-1 2-diamine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
139512-70-2 4-chloro-5-fluorobenzene-1,2-diamine 97 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.

Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Exposure Limits CAS# 139512-70-2: Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 117 - 119 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: C10H11N5O
Molecular Weight: 217

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 139512-70-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-chloro-5-fluorobenzene-1,2-diamine - Not listed by ACGIH, IARC, or NTP.

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
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: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 139512-70-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 139512-70-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 139512-70-2 is not listed on the TSCA inventory.
It is for research and development use only.


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:39.61

2、摩尔体积(cm3/mol):110.1

3、等张比容(90.2K):301.9

4、表面张力(dyne/cm):56.4

5、介电常数:无可用的

6、极化率(10-24cm3):15.7

7、单一同位素质量:160.020354 Da

8、标称质量:160 Da

9、平均质量:160.5766 Da

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