4-甲氧基硫代苯甲酰胺

4-甲氧基硫代苯甲酰胺 基本信息
CAS号 2362-64-3 分子式 C8H9NOS
分子量 167.22800 精确质量 　167.04000
PSA 　67.34000 LogP 　2.02970
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 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：
2362-64-3
3D弹球模型：
立即前往扯扯看
分子式：
C8H9NOS
分子量：
167.22800
中文名称：
4-甲氧基硫代苯甲酰胺
英文名称：
4-methoxybenzenecarbothioamide
中文别名：
4-甲氧基硫代苯甲酰胺;
4-甲氧基硫代苯甲胺
英文别名：
4-methoxybenzenecarbothioamide;
4-methoxybenzene-1-carbothioamide;
p-methoxythiobenzamide;
4-methoxybenzoic acid thioamide;
amino(4-methoxyphenyl)methane-1-thione;
p-methoxyphenylthiobenzamide;
thioanisamide;
4-methoxythiobenzamide;
4-methoxybenzothioamide;
Benzenecarbothioamide,4-methoxy;
Thio-p-anisamide
精确分子量/精确质量：
167.04000
极性分子表面积/PSA：
67.34000
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：
MFCD00040993
PubChem：
24883664
BRN：
1072444
InChI：
InChI=1/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)

物化性质展开↓

外观与性状：
黄色粉末
密度：
1.194g/cm3
熔点：
145-149 °C(lit.)
沸点：
288.5ºC at 760mmHg
闪点：
128.3ºC
折射率：
1.619
蒸汽压：
0.00233mmHg at 25°C
存储条件/存储方法：

4°C条件下密封保存

稳定性相关：

避免氧化物接触

其它信息：

1.      性状：黄色粉末

2.      密度（g/L,25ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：145-147

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC 16mmHg）：未确定

7.      折射率（nD20）：未确定

8.      闪点（ºF）：未确定

9.      比旋光度（）：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：不能溶解的

安全信息展开↓

包装等级：
II
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：
R20/22
安全说明：
S36
安全标志：
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 874-90-8

    4-甲氧基苯甲腈

  • →

    ~98%

  • 2362-64-3

    4-甲氧基硫代苯甲酰胺

  • 123-11-5

    对甲氧基苯甲醛

  • →

    ~91%

  • 2362-64-3

    4-甲氧基硫代苯甲酰胺

  • 3424-93-9

    4-甲氧基苯甲酰胺

  • →

    ~88%

  • 2362-64-3

    4-甲氧基硫代苯甲酰胺

毒理性展开↓

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

Name: 4-Methoxythiobenzamide 98% Material Safety Data Sheet
Synonym:
CAS: 2362-64-3
Section 1 - Chemical Product   MSDS Name:4-Methoxythiobenzamide 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2362-64-3 4-Methoxythiobenzamide 98% unlisted
Hazard Symbols: XN
Risk Phrases: 20/22 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be 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:
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 water spray, dry chemical, carbon dioxide, or chemical foam.
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:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area.
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# 2362-64-3: 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: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 - 152 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: C8H9NOS
Molecular Weight: 167.23
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2362-64-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxythiobenzamide - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation 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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2362-64-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2362-64-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2362-64-3 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：49.12

2、   摩尔体积（m3/mol）：140.0

3、   等张比容（90.2K）：379.8

4、   表面张力（dyne/cm）：54.1

5、   极化率（10-24cm3）：19.47

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:1

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积67.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:141

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

上下游相关产品

上游产品

更多

  • 123-11-5

    对甲氧基苯甲醛

  • 110-91-8

    吗啉

  • 141-84-4

    罗丹宁

  • 3424-93-9

    4-甲氧基苯甲酰胺

  • 874-90-8

    4-甲氧基苯甲腈

下游产品

更多

  • 57677-80-2

    2-(4-甲氧基苯基)-1,3-噻唑-4-羧酸

  • 57677-79-9

    2-(4-甲氧基苯基)-噻唑-4-羧酸乙酯

  • 2227-71-6

    2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole

  • 23421-57-0

    4-氯甲基-2-(4-甲氧基苯基)-1,3-噻唑盐酸盐

  • 81015-49-8

    2-(4-羟基苯基)噻唑

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP