822-48-0

• 常用中文名：3-氯甲基-3-甲基氧杂环丁烷
• 常用英文名：3-(Chloromethyl)-3-methyloxetane
• CAS号：822-48-0
• 分子式：C₅H₉ClO
• 分子量：120.577
• 相关类别： 化学试剂 有机试剂 卤代脂肪烃
• 发布时间：2018-12-26 17:49:23
• 更新时间：2024-01-10 13:32:24

名称

• 中文名: 3-(氯甲基)-3-甲基氧杂环丁烷
• 英文名: 2-(ChloroMethyl)-2-Methyl-1,3-Epoxypropane
• 中文别名: 3-氯甲基-3-甲基氧杂环丁烷
• 英文别名: Oxetane, 3-(chloromethyl)-3-methyl-; MFCD01709552; 3-(Chloromethyl)-3-methyloxetane

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 140.0±15.0 °C at 760 mmHg
• 分子式: C₅H₉ClO
• 分子量: 120.577
• 闪点: 42.9±4.5 °C
• 精确质量: 120.034195
• PSA: 9.23000
• LogP: 0.75
• 外观性状: 液体;Colorless to Almost colorless clear liquid
• 蒸汽压: 7.8±0.2 mmHg at 25°C
• 折射率: 1.437
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：29.59

  2、 摩尔体积（m³/mol）：112.8

  3、 等张比容（90.2K）：271.2

  4、 表面张力（dyne/cm）：33.34

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：11.73

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  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9.2

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:68.5

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25/4℃）：1.10

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, 97.5mmHg）：88 °C

  7. 折射率：1.437

  8. 闪点（ºC）：42.9

  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,2ºC）：7.82

  12. 饱和蒸气压（kPa,60ºC）：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：未确定

MSDS

3-(Chloromethyl)-3-methyloxetane Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:3-(Chloromethyl)-3-methyloxetane Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 3 Flammable liquids HEALTH HAZARDS Category 4 Acute toxicity (Oral) ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsFlammable liquid and vapour Harmful if swallowed Precautionary statements: Keep away from heat/sparks/open flames/hot surfaces. - No smoking. [Prevention] Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. [Storage]Store in a well-ventilated place. Keep cool. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:3-(Chloromethyl)-3-methyloxetane Percent:>98.0%(GC) 822-48-0 CAS Number: Synonyms:2-(Chloromethyl)-2-methyl-1,3-epoxypropane 3-(Chloromethyl)-3-methyloxetane Section3. COMPOSITION/INFORMATION ON INGREDIENTS Chemical Formula:C5H9ClO Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Ingestion: Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by spraying with water. Eliminate all ignition sources if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in case of a fire. Use spark-proof tools and explosion-proof equipment. hazards: Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot surfaces. -No smoking. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. 3-(Chloromethyl)-3-methyloxetane Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Protective gloves. Hand protection: Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Colorless - Almost colorless Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available 88°C/13kPa Boiling point/range: Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.10 Solubility(ies): No data available [Water] [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Spark, Open flame, Static discharge Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride products: Section11. TOXICOLOGICAL INFORMATION orl-rat LD50:1120 mg/kg Acute Toxicity: orl-mus LD50:700 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available RTECS Number:RQ6828000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil 3-(Chloromethyl)-3-methyloxetane Section12. ECOLOGICAL INFORMATION Log Pow:No data available Soil adsorption (Koc): No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:3: Flammable liquid. UN-No:1993 Proper shipping name:Flammable liquid, n.o.s. Packing group:III Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：小鼠口经LD50：700/kg；大鼠口经LD50：1120mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : RQ6828000 CHEMICAL NAME : Oxetane, 3-(chloromethyl)-3-methyl- CAS REGISTRY NUMBER : 822-48-0 BEILSTEIN REFERENCE NO. : 1236376 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C5-H9-Cl-O MOLECULAR WEIGHT : 120.59 WISWESSER LINE NOTATION : T4OTJ C1 C1G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1120 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea REFERENCE : FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology. (Kievskii Nauchno- Issledovatel'skii Institut Farmakologii i Toksikologii, Kiev, USSR) No.1- 1964- Volume(issue)/page/year: 5,157,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea REFERENCE : FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology. (Kievskii Nauchno- Issledovatel'skii Institut Farmakologii i Toksikologii, Kiev, USSR) No.1- 1964- Volume(issue)/page/year: 5,157,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 520 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 48,67,1985

安全

• 危险品运输编码: 1993
• RTECS号: RQ6828000
• 包装等级: III
• 海关编码: 2932999099

合成路线

13431-60-2 ~% 822-48-0

文献：Pharmaceutical Chemistry Journal, , vol. 19, # 2 p. 108 - 111 Khimiko-Farmatsevticheskii Zhurnal, , vol. 19, # 2 p. 161 - 165

77-85-0 ~% 822-48-0

文献：Acta Chemica Scandinavica, , vol. 45, # 1 p. 82 - 91

78-71-7 ~% 822-48-0

文献：Pharmaceutical Chemistry Journal, , vol. 19, # 2 p. 108 - 111 Khimiko-Farmatsevticheskii Zhurnal, , vol. 19, # 2 p. 161 - 165

上下游产品

上游产品  3
13431-60-2 77-85-0 78-71-7
下游产品  2
112823-30-0 90683-29-7

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%