3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 基本信息

中文名称:
3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 
中文别名:
3-双邻氯苯基-5-甲基-4-异恶唑酰氯;
3-(2,6-二氯苯基)-5-甲基异恶唑-4-碳酰氯;
3-(2,6-二氯苯基)-5-甲基异噁唑-4-甲酰氯;
双氯西林酰氯;
3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 
英文名称:
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
英文别名:
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride;
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl Chloride;
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride 
CAS No.:
4462-55-9
分 子 式:

C11H6Cl3NO2

分 子 量:
290.53
精确分子量:
288.94600
PSA:
43.10000
EINECS:
224-723-8
InChI:
InChI=1/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3
危险品标志:

CorrosiveC

风险术语:

R34

安全术语:

S26;S36/37/39;S45

分子结构式:
SDS:
查看

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 制备方法及用途

制备方法

有机合成、医药中间体。

用途简介

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 物化性质

外观与性状:
黄色至棕色粉末
密度:
1.472g/cm3
熔点:
94-96ºC
沸点:
390.9ºC at 760mmHg
闪点:
190.2°C
折射率:
1.584

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 安全信息

海关代码:
2934999090
危险类别码:
R34
安全说明:
S26-S36/37/39-S45
危险标志:
C:Corrosive;

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 MSDS

Name: 3-(2 6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS: 4462-55-9
Section 1 - Chemical Product   MSDS Name:3-(2 6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4462-55-9 3-(2,6-Dichlorophenyl)-5-methylisoxazo 97% 224-723-8
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. 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:
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 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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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# 4462-55-9: 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: off-white - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94 - 96 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: C11H6Cl3NO2
Molecular Weight: 291

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, alcohols.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4462-55-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
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.
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# 4462-55-9: No information available.
Canada
CAS# 4462-55-9 is listed on Canada's NDSL List.
CAS# 4462-55-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4462-55-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯 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):4.2

2.氢键供体数量:0

3.氢键受体数量:3

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:43.1

7.重原子数量:17

8.表面电荷:0

9.复杂度:292

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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