4-甲基恶唑-5-羰酰氯

4-甲基恶唑-5-羰酰氯 基本信息
CAS号 62348-24-7 分子式 C5H4ClNO2
分子量 145.54400 精确质量  144.99300
PSA  43.10000 LogP  1.36200

基本信息 展开↓

CAS号:
62348-24-7
3D弹球模型:
立即前往扯扯看
分子式:
C5H4ClNO2
分子量:
145.54400
中文名称:
4-甲基恶唑-5-羰酰氯
英文名称:
4-methyl-1,3-oxazole-5-carbonyl chloride
中文别名:
4-甲基恶唑-5-羰酰氯;
4-甲基-5-羰基氯异唑
英文别名:
4-methyl-1,3-oxazole-5-carbonyl chloride;
4-methyl-oxazol-5-carbonyl chloride;
4-Methyl-5-oxazolecarbonyl chloride;
4-methyl oxazole-5-carbonyl chloride;
4-methyl-5-oxazolecarboxylic acid
精确分子量/精确质量:
144.99300
极性分子表面积/PSA:
43.10000
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:
MFCD06200856
InChI:
The Key: YPKNOSGIABPXKS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.345g/cm3
沸点:
80ºC
闪点:
72.6ºC
折射率:
1.498

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 2510-32-9

    4-甲基-1,3-噁唑-5-甲酸

  • ~94%

  • 62348-24-7

    4-甲基恶唑-5-羰酰氯

  • 20485-39-6

    4-甲基-1,3-恶唑-5-甲酸乙酯

  • 62348-24-7

    4-甲基恶唑-5-羰酰氯

MSDS 展开↓

Name: 4-Methyloxazole-5-carbonyl chloride Material Safety Data Sheet
Synonym: None Known
CAS: 62348-24-7
Section 1 - Chemical Product   MSDS Name:4-Methyloxazole-5-carbonyl chloride Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
62348-24-7 4-Methyloxazole-5-carbonyl chloride 97+ unlisted
Hazard Symbols: C
Risk Phrases: 14 20/21/22 29 35

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Reacts violently with water. Harmful by inhalation, in contact with skin and if swallowed. Contact with water liberates toxic gas.
Causes severe burns.Water-reactive.
Potential Health Effects
Eye:
Causes severe eye burns.
Skin:
Causes severe burns.
Ingestion:
Causes severe digestive tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil. In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
DO NOT USE WATER! Do NOT get water inside containers. Contact professional fire-fighters immediately. Use dry chemical, dry sand, 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not expose spill to water.

Section 7 - HANDLING and STORAGE
  Handling:
Do not allow water to get into the container because of violent reaction. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Keep away from water. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 62348-24-7: 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 80 deg C @ 10-12mmHg
Freezing/Melting Point: Not available.
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: C5H4ClNO2
Molecular Weight: 145.54

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Combines vigorously or explosively with water. Reacts with water to form hydrogen chloride, a toxic and corrosive gas.
Conditions to Avoid:
Exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, water, bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide, chlorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 62348-24-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methyloxazole-5-carbonyl chloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: CORROSIVE LIQUID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 29 Contact with water liberates toxic gas.
R 35 Causes severe burns.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
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# 62348-24-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62348-24-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62348-24-7 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: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%

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:31.71

2、  摩尔体积(cm3/mol):108.1

3、  等张比容(90.2K):276.8

4、  表面张力(dyne/cm):42.9

5、  极化率(10-24cm3):12.57

计算化学数据


1.疏水参数计算参考值(XlogP):1.6

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:1

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:9

8.表面电荷:0

9.复杂度:128

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
  • 2510-32-9

    4-甲基-1,3-噁唑-5-甲酸

  • 20485-39-6

    4-甲基-1,3-恶唑-5-甲酸乙酯

下游产品

更多
  • 101708-09-2

    2-hydroxy-1-(4-methyl-1,3-oxazol-5-yl)ethanone

  • 159015-06-2

    4-Methyl-1,3-oxazole-5-carbaldehyde

  • 87205-04-7

    8-methyl-2-phenyl-3,4-dihydro-2,7-naphthyridin-1-one

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便