1-(3,4-二氯苯基)-2-硫脲

1-(3,4-二氯苯基)-2-硫脲 基本信息
CAS号 19250-09-0 分子式 C7H6Cl2N2S
分子量 221.10700 精确质量  219.96300
PSA  70.14000 LogP  3.42220

基本信息 展开↓

CAS号:
19250-09-0
分子式:
C7H6Cl2N2S
分子量:
221.10700
中文名称:
1-(3,4-二氯苯基)-2-硫脲
英文名称:
(3,4-dichlorophenyl)thiourea
中文别名:
1-(3,4-二氯苯基)-2-硫脲;
3,4-二氯苯(基)硫脲;
N-3,4-二氯苯(基)硫脲;
N-(3,4-二氯苯基)硫脲
英文别名:
(3,4-dichlorophenyl)thiourea;
1-(3,4-Dichlorophenyl)thiourea;
N-(3,4-Dichlorophenyl)thiourea;
3,4-dichlorophenylthiourea;
3,4-Dichlorophenylthiourae
精确分子量/精确质量:
219.96300
极性分子表面积/PSA:
70.14000
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:
MFCD00004935
EINECS:
242-919-1
BRN:
2102334

物化性质展开↓

外观与性状:
灰色结晶粉末
密度:
1.563 g/cm3
熔点:
197-199 °C(lit.)
沸点:
327.7ºC at 760 mmHg
闪点:
152ºC
折射率:
1.73
蒸汽压:
0.000198mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):210-213

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

包装等级:
III
风险类别:
6.1
海关代码:
2930909090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S45-S36/37/39-S28-S26-S22-S1
安全标志:
S1:保持封闭。
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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+: Very toxic;

合成路线查看所有的合成路线

  • 19249-85-5

    19249-85-5

  • ~89%

  • 19250-09-0

    1-(3,4-二氯苯基)-2-硫脲

  • 1147550-11-5

    1147550-11-5

  • +

  • 33240-95-8

    3-chloro-4-methylaniline

  • 19250-09-0

    1-(3,4-二氯苯基)-2-硫脲

  • 333-20-0

    硫氰酸钾

  • +

  • 33240-95-8

    3-chloro-4-methylaniline

  • 19250-09-0

    1-(3,4-二氯苯基)-2-硫脲

化学图谱

  1. 3,4-二氯苯(基)硫脲红外图谱(IR1)

  2. 3,4-二氯苯(基)硫脲红外图谱(IR2)

  3. 3,4-二氯苯(基)硫脲质谱(MS)

上一页 1/4 下一页

毒理性展开↓

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: 1-(3 4-Dichlorophenyl)-2-Thiourea Tech. Material Safety Data Sheet
Synonym: None known
CAS: 19250-09-0
Section 1 - Chemical Product   MSDS Name:1-(3 4-Dichlorophenyl)-2-Thiourea Tech. Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19250-09-0 1-(3,4-Dichlorophenyl)-2-Thiourea ca 100 242-919-1
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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. 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, then place into a suitable 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:
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# 19250-09-0: 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: Powder
Color: grey
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 210.00 - 213.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C7H6Cl2N2S
Molecular Weight: 221.10

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19250-09-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3,4-Dichlorophenyl)-2-Thiourea - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 19250-09-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19250-09-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19250-09-0 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:2930909090

概述:
2930909090. 其他有机硫化合物. 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:
2930909090. other organo-sulphur compounds. 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


1   摩尔折射率:56.47

2   摩尔体积m3/mol):141.4

3   等张比容90.2K):413.4

4   表面张力3.0 dyne/cm):73.0

5   极化率0.5 10-24cm3):22.38

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:1

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积70.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:177

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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