甲基苯基二硫醚

甲基苯基二硫醚 基本信息
CAS号 14173-25-2 分子式 C7H8S2
分子量 156.26800 精确质量 　156.00700
PSA 　50.60000 LogP 　3.05670
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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：
14173-25-2
3D弹球模型：
立即前往扯扯看
分子式：
C7H8S2
分子量：
156.26800
中文名称：
甲基苯基二硫醚
英文名称：
(methyldisulfanyl)benzene
中文别名：
甲基苯基二硫醚;
5,10,15,20-tetraphenyl-21H,23H-porphine copper(ii);
magnesium sulfate monohydrate;
Salen-CoSALCOMINE;
N,N-BIS(SALICYLIDENE)ETHYLENE-DIIMINOCOBALT (II);
N,N'-Bis(salicylidene)ethylenediamine cobalt salt;
Phenyl-2-pyridylcarbinol;
a-Phenyl-2-pyridinemethanol;
2-Pyridinemethanol, a-phenyl-;
AlPCCl;
Aluminum phthalocyanine chloride;
29H,31H-phthalocyanine, nickel(2+) salt (1:1);
[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]nickel;
EDTA-CuNa2;
disodium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']cuprate(2-);
Zinc(II) acetylacetonate;
Zinc, bis(2,4-pentanedionato)di-;
Zinc, bis(2,4-pentanedionato-O,O')-;
Zinc, bis(2,4-pentanedionato-O,O')-, (T-4)-;
bis(pentane-2,4-dionato-O,O')zinc;
Zinc 2,4-pentanedione complex;
Zinc, bis(2,4-pentanedionato)-;
Zinc, bis(2,4-pentanedionato-O,O')-, (beta-4)-;
Zinc, bis(2,4-pentanedionato-kappaO,kappaO')-, (T-4)-;
pentane-2,4-dione-zinc (2:1);
zinc bis[(2Z)-4-oxopent-2-en-2-olate];
Zn.Ac.Ac;
TMG-623;
UNII-BJ4HF6IU1D;
Visken;
(1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-o
英文别名：
(methyldisulfanyl)benzene;
Methyl phenyl disulfide;
Phenyl-methyldisulfid;
Methyl-phenyl-disulfid;
methyl phenyl disulfide;
Methyl phenyl disulphide;
phenylmethyl disulfide;
Disulfide,methyl phenyl
精确分子量/精确质量：
156.00700
极性分子表面积/PSA：
50.60000
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：
MFCD00026035
EINECS：
238-020-9
InChI：
InChI=1/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3

物化性质展开↓

密度：
1.16g/cm3
沸点：
215ºC at 760mmHg
闪点：
112.4ºC
折射率：
1.617-1.619
蒸汽压：
0.222mmHg 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℃）：1.15

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：无可用

5.       沸点（ºC,常压）：65

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.617-1.619 

8.       闪点（ºC）：22

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↓

海关代码：
2930909090
危险类别码：
R36/37/38
安全说明：
37/39-26-16
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 13882-12-7

    methylsulfinylsulfanylmethane

  • +

  • 4551-15-9

    苯基硫三甲基硅烷

  • →

    ~96%

  • 14173-25-2

    甲基苯基二硫醚

  • 5813-48-9

    methyl thiohypochlorite

  • +

  • 108-98-5

    硫酚

  • →

    ~85%

  • 14173-25-2

    甲基苯基二硫醚

  • 3908-55-2

    三甲基甲硫基硅烷

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  • 1208-20-4

    benzenesulfinylsulfanylbenzene

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    ~84%

  • 14173-25-2

    甲基苯基二硫醚

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: Methyl phenyl disulfide 97+% Material Safety Data Sheet
Synonym: Non
CAS: 14173-25-2
Section 1 - Chemical Product   MSDS Name:Methyl phenyl disulfide 97+% Material Safety Data Sheet
Synonym:Non
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14173-25-2 Methyl phenyl disulfide, 97+% 97+% 238-020-9
Hazard Symbols: None Listed.
Risk Phrases: 10
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.Stench.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
No information found.
Inhalation:
May cause respiratory tract irritation.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Will burn if involved in a fire.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Use spark-proof tools and explosion proof equipment. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Flammables-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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 14173-25-2: 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:
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: Liquid
Color: clear slightly yellow
Odor: Rather pungent odor, reminiscent
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 65 deg C @ 2.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 22 deg C ( 71.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.1500g/cm3
Molecular Formula: C7H8S2
Molecular Weight: 156.26
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 14173-25-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl phenyl disulfide, 97+% - 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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.2
UN Number: 1993
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
WGK (Water Danger/Protection)
CAS# 14173-25-2: No information available.
Canada
CAS# 14173-25-2 is listed on Canada's NDSL List.
CAS# 14173-25-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14173-25-2 is listed on the TSCA inventory.

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：47.40

2、   摩尔体积（m3/mol）：134.4

3、   等张比容（90.2K）：348.4

4、   表面张力（3.0 dyne/cm）：45.1

5、   极化率（0.5 10-24cm3）：18.79

计算化学数据

1.疏水参数计算参考值（XlogP）:2.5

2.氢键供体数量:0

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:无

6.拓扑分子极性表面积50.6

7.重原子数量:9

8.表面电荷:0

9.复杂度:67.3

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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