2,4-二甲氧基异硫氰酸苯酯

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

2,4-二甲氧基异硫氰酸苯酯 基本信息

中文名称:
2,4-二甲氧基异硫氰酸苯酯 
中文别名:
2,4-二甲氧基苯基异硫氰酸酯;
2,4-二甲氧基异硫氰酸苯酯 
英文名称:
Benzene,1-isothiocyanato-2,4-dimethoxy-
英文别名:
1-isothiocyanato-2,4-dimethoxybenzene;
4-Thiocarbonylamino-resorcin-dimethylaether;
2,4-Dimethoxyphenyl isothiocyanate;
1-isothiocyanato-2,4-dimethoxy-benzene;
2,4-Dimethoxy-phenylisothiocyanat;
2,4-dimethoxybenzenisothiocyanate;
2.4-Dimethoxy-phenylsenfoel 
CAS No.:
33904-03-9
分 子 式:

C9H9NO2S

分 子 量:
195.24
精确分子量:
195.03500
PSA:
62.91000
MDL:
MFCD00041058
InChI:
InChI=1/C9H9NO2S/c1-11-7-3-4-8(10-6-13)9(5-7)12-2/h3-5H,1-2H3
危险品标志:

Xn:Harmful
 

风险术语:

R20/21/22; R36/37/38;

安全术语:

S26; S36/37/39;

分子结构式:
SDS:
查看

2,4-二甲氧基异硫氰酸苯酯 物化性质

密度:
1.12g/cm3
熔点:
52-55 °C(lit.)
沸点:
167 °C6 mm Hg(lit.)
闪点:
>230 °F
折射率:
1.537
存储条件/存储方法:

密闭,阴凉干燥处保存

稳定性相关:

常温常压下稳定,避免强氧化剂

其它信息:

1.       性状:未确定

2.       密度(g/mL at 20°C:未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):52-55

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,6mmHg):167

7.       折射率(n20/D):未确定

8.       闪点(ºC):113

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,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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

2,4-二甲氧基异硫氰酸苯酯 安全信息

包装等级:
III
风险类别:
8
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:
R20/21/22;R36/37/38
安全说明:
S26-S27-S36/37/39-S45
危险标志:
Xn:Harmful;

2,4-二甲氧基异硫氰酸苯酯 MSDS

Name: 2 4-Dimethoxyphenyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:
CAS: 33904-03-9
Section 1 - Chemical Product   MSDS Name:2 4-Dimethoxyphenyl isothiocyanate 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
33904-03-9 2,4-Dimethoxyphenyl isothiocyanate 95+% 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.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
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 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:
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. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

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# 33904-03-9: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 166 - 167 deg C @6mmHg
Freezing/Melting Point: 51 - 53 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H9NO2S
Molecular Weight: 195

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, alcohols, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 33904-03-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dimethoxyphenyl isothiocyanate - 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
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# 33904-03-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33904-03-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33904-03-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4-二甲氧基异硫氰酸苯酯 海关数据

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%

2,4-二甲氧基异硫氰酸苯酯 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3.3

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积62.9

7.重原子数量:13

8.表面电荷:0

9.复杂度:204

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

2,4-二甲氧基异硫氰酸苯酯 上游产品

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上海吉至生化科技有限公司

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产品介绍:
产品名称:2,4-二甲氧基异硫氰酸苯酯 Cas号:33904-03-9 纯度:98% 包装信息:1g 价格:180.0元
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