胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄

  • 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

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 基本信息

中文名称:
胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 
中文别名:
胡椒基氯;
5-氯甲基-1,3-苯并二氧杂环戊烯;
3,4-亚甲基二氧苄氯 
英文名称:
1,3-Benzodioxole,5-(chloromethyl)-
英文别名:
3,4-Methylenedioxybenzyl chloride;
5-(chloromethyl)-1,3-benzodioxole 
CAS No.:
20850-43-5
分 子 式:
C8H7ClO2
分 子 量:
170.59
精确分子量:
170.01300
PSA:
18.46000
EINECS:
244-081-2
InChI:
InChI=1/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
风险术语:
36/37/38
分子结构式:
SDS:
查看

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 制备方法及用途

制备方法

用邻苯二酚与二氯甲烷在碱性条件下环合,生成胡椒环,然后与三聚甲醛、盐酸反应,氯甲基化后制得该品。

用途简介

小檗碱盐酸盐(盐酸黄连素)的中间体。

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 物化性质

外观与性状:
无色液体
密度:
1.329g/cm3
熔点:
20.5ºC
沸点:
257.4ºC at 760mmHg
闪点:
115.9ºC
折射率:
1.566
蒸汽压:
0.931mmHg at 25°C

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 安全信息

海关代码:
2932999099
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39-S45
危险标志:
Xi: Irritant;

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 MSDS

Name: 5-(Chloromethyl)-1 3-benzodioxole 90+% Material Safety Data Sheet
Synonym: 1,3-Benzodioxole, 5-(chloromethyl)-
CAS: 20850-43-5
Section 1 - Chemical Product   MSDS Name:5-(Chloromethyl)-1 3-benzodioxole 90+% Material Safety Data Sheet
Synonym:1,3-Benzodioxole, 5-(chloromethyl)-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
20850-43-5 5-(Chloromethyl)-1,3-benzodioxole 90+% 244-081-2
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
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:
Chronic exposure may cause effects similar to those of acute exposure.

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. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. 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# 20850-43-5: 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: 67 - 68 deg C @0.05mmHg
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: C8H7ClO2
Molecular Weight: 170.59

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 20850-43-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(Chloromethyl)-1,3-benzodioxole - 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, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
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# 20850-43-5: No information available.
Canada
CAS# 20850-43-5 is listed on Canada's NDSL List.
CAS# 20850-43-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20850-43-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 海关数据

中国海关编码:2932999099

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
摘要/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%

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 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):无

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积:18.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:140

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

胡椒基氯; 5-氯甲基-1,3-苯并二氧杂环戊烯; 3,4-亚甲二氧基氯苄 上游产品

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