2-溴-6-氯-4-(三氟甲基)苯胺

2-溴-6-氯-4-(三氟甲基)苯胺 基本信息
CAS号 109919-26-8 分子式 C7H4BrClF3N
分子量 274.46600 精确质量  272.91700
PSA  26.02000 LogP  4.28470

基本信息 展开↓

CAS号:
109919-26-8
3D弹球模型:
立即前往扯扯看
分子式:
C7H4BrClF3N
分子量:
274.46600
中文名称:
2-溴-6-氯-4-(三氟甲基)苯胺
英文名称:
2-BROMO-6-CHLORO-4-(TRIFLUOROMETHYL)ANILINE
中文别名:
2-溴-6-氯-4-(三氟甲基)苯胺;
2-溴-6-三氟甲基苯胺;
4-氨基-3-溴-5-氯三氟甲苯;
2-溴-6-4-(三氟甲基)苯胺
英文别名:
2-BROMO-6-CHLORO-4-(TRIFLUOROMETHYL)ANILINE;
4-Amino-3-bromo-5-chlorobenzotrifluoride;
2-bromo-6-chloro-4-trifluoromethylaniline;
2-Bromo-6-chloro-4-(trifluoromethyl)aniline
精确分子量/精确质量:
272.91700
极性分子表面积/PSA:
26.02000
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:
MFCD00042180
EINECS:
000-000-0
PubChem:
24878621
InChI:
InChI=1/C5H7F3O/c6-4(5(7)8)2-1-3-9/h9H,1-3H2

物化性质展开↓

外观与性状:
白色至灰白色晶体或低熔点固体
密度:
1.789 g/cm3
熔点:
27-30 °C(lit.)
沸点:
72 °C (0.2 mmHg)
闪点:
>230 °F
折射率:
1.536
蒸汽压:
1.53mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离热源,不相容材料。

稳定性相关:

远离高温,火花,火焰。避免与强氧化剂,碱,强还原剂接触。

其它信息:

1.      性状:无色或黄色固体

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):27-30

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.2mmHg):72

7.      折射率(n20/D)1.536

8.      闪点(ºC):>110

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,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:不溶于水

安全信息展开↓

包装等级:
III
风险类别:
6.1
海关代码:
2921420090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志:
Xn:Harmful;

MSDS 展开↓

Name: 4-Amino-3-bromo-5-chlorobenzotrifluoride Material Safety Data Sheet
Synonym: 2-Bromo-6-chloro-4-trifluoromethylanilin
CAS: 109919-26-8
Section 1 - Chemical Product   MSDS Name:4-Amino-3-bromo-5-chlorobenzotrifluoride Material Safety Data Sheet
Synonym:2-Bromo-6-chloro-4-trifluoromethylanilin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
109919-26-8 4-Amino-3-bromo-5-chlorobenzotrifluori 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. Get medical aid.
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. Wash mouth out with 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:

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 carbon dioxide, dry chemical, or water fog.

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 cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 109919-26-8: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 71-72 deg C @ 0.25
Freezing/Melting Point: 29-32 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: C7H4BrClF3N
Molecular Weight: 274.3869

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 109919-26-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-3-bromo-5-chlorobenzotrifluoride - 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: 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# 109919-26-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 109919-26-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 109919-26-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921420090

概述:
2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 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:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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


1、摩尔折射率:48.05

2、摩尔体积(cm3/mol):153.3

3、等张比容(90.2K):376.6

4、表面张力(dyne/cm):36.3

5、介电常数:无可用的

6、极化率(10-24cm3):19.05

7、单一同位素质量:272.916766 Da

8、标称质量:273 Da

9、平均质量:274.4656 Da

计算化学数据


1.疏水参数计算参考值(XlogP):3.4

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积26

7.重原子数量:13

8.表面电荷:0

9.复杂度:187

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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