2-溴丁酸叔丁酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

2-溴丁酸叔丁酯 基本信息

中文名称:
2-溴丁酸叔丁酯 
中文别名:
2-溴丁酸叔丁酯;
二氯水杨苯胺;
5-(methylsulfanyl)thiophene-2-carbaldehyde;
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-;
(S)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropionic Acid;
(BOC)2O;
Di-tert butyl dicarbonate;
Doxycycline Hyclate BP;
Doxycycline Hyclate;
4-Bromo-α-phenylethylamine;
Dihydroxyprogesterone acetophenide;
Droxone;
Neolutin;
P-Dhp;
Pregn-4-ene-3,20-dione, 16,17-((1-phenylethylidene)bis(oxy))-, (16alpha(R))-;
SQ 15101;
UNII-OL7KC2O3 
英文名称:
TERT-BUTYL 2-BROMOBUTYRATE
英文别名:
tert-butyl 2-bromobutanoate;
TERT-BUTYL 2-BROMOBUTYRATE;
tert-butyl2-bromobutanoate;
tert-Butyl 2-Bromobutyrate;
tert-butyl 2-bromanylbutanoate 
CAS No.:
24457-21-4
分 子 式:
C8H15BrO2
分 子 量:
223.11
精确分子量:
222.02600
PSA:
26.30000
InChI:
InChI=1/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3
风险术语:
R36/37/38
分子结构式:
SDS:
查看

2-溴丁酸叔丁酯 物化性质

密度:
1.2
沸点:
187.947ºC at 760 mmHg
闪点:
75.191°C
折射率:
1.441
蒸汽压:
0.614mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物
其它信息:

1.       性状:无色液体

2.       密度(g/mL,25/4℃):1.20

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,12mmhg):72-76

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

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(kpa,20ºC):未确定

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

2-溴丁酸叔丁酯 安全信息

包装等级:
III
海关代码:
2915900090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39

2-溴丁酸叔丁酯 毒理性

毒理学数据:

在皮肤上:造成腐蚀性影响。刺激皮肤和粘膜。

在眼睛上:强烈的腐蚀性影响。刺激的作用。

 

生态数据:

通常来说对水是不危害的,若无政府许可,勿将材料排入周围环境

2-溴丁酸叔丁酯 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      tert-Butyl 2-bromobutyrate    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H314:        Causes severe skin burns and eye damage    
    H318:        Causes serious eye damage    
    P260:        Do not breathe dust/fume/gas/mist/vapours/spray    
    P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    Ingredient name:        tert-Butyl 2-bromobutyrate    
    CAS number:        24457-21-4    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H15BrO2    
    Molecular weight:        223.1    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen bromide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    UN Number:        UN1760 Class: 8 Packing group: III    
    Proper shipping name: CORROSIVE LIQUIDS, N.O.S. (tert-Butyl 2-bromobutyrate)

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-溴丁酸叔丁酯 海关数据

中国海关编码:2915900090

概述:
2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

2-溴丁酸叔丁酯 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:48.54

2   摩尔体积m3/mol177.6

3   等张比容(90.2K):419.7

4   表面张力dyne/cm31.1

5   极化率10-24cm319.24

计算化学数据

1.疏水参数计算参考值(XlogP):2.8

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:138

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:1

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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