4,4,4-三氯丁酸

  • 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
  • 上游产品
  • 下游产品

4,4,4-三氯丁酸 基本信息

中文名称:
4,4,4-三氯丁酸 
中文别名:
4,4,4-三氯丁酸;
pentadecan-2-one;
2-pentadecanone;
tetradecan-2-one;
3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (E)-;
3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-;
AI3-32667;
FEMA No. 2513;
Geranyl 2-methylpropanoate;
Geranyl isobutyrate (natural);
Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-;
Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-;
Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E);
trans-3-7-Dimethyl-2,6-o 
英文名称:
4,4,4-trichlorobutyric acid
英文别名:
4,4,4-trichlorobutanoic acid;
4.4.4-Trichlor-buttersaeure;
4,4,4-trichloro-butyric acid;
Butanoic acid,4,4,4-trichloro 
CAS No.:
2345-32-6
分 子 式:

C4H5Cl3O2

分 子 量:
191.44
精确分子量:
189.93600
PSA:
37.30000
MDL:
MFCD00100736
EINECS:
219-065-3
InChI:
InChI=1/C4H5Cl3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
危险品标志:

CorrosiveC;

风险术语:

R20/21/22;R34

安全术语:

S26;S36/37/39;S45

分子结构式:
SDS:
查看

4,4,4-三氯丁酸 物化性质

密度:
1.551g/cm3
熔点:
43ºC
沸点:
274.8ºC at 760mmHg
闪点:
120ºC
折射率:
1.505
蒸汽压:
0.00145mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物接触

其它信息:

1.      性状:晶体状粉末

2.      密度(g/L,20ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):43-44

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 0.8mmHg):未确定

7.      折射率nD20):未确定

8.      闪点(ºF未确定

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,20ºC):未确定

12.   饱和蒸气压(kPa,20ºC):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

4,4,4-三氯丁酸 安全信息

包装等级:
II
海关代码:
2915900090
危险类别码:
R20/21/22;R34
安全说明:
S26-S36/37/39-S45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
C:Corrosive;

4,4,4-三氯丁酸 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

4,4,4-三氯丁酸 MSDS

Name: 4 4 4-Trichlorobutanoic acid 97% Material Safety Data Sheet
Synonym: 4,4,4-Trichlorobutyric aci
CAS: 2345-32-6
Section 1 - Chemical Product   MSDS Name:4 4 4-Trichlorobutanoic acid 97% Material Safety Data Sheet
Synonym:4,4,4-Trichlorobutyric aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2345-32-6 4,4,4-Trichlorobutanoic acid 97% 219-065-3
Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. 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.

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# 2345-32-6: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 43 - 44 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: C4H5Cl3O2
Molecular Weight: 191

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2345-32-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,4,4-Trichlorobutanoic acid - 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 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 2345-32-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2345-32-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2345-32-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4,4,4-三氯丁酸 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%

4,4,4-三氯丁酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:36.65

2、   摩尔体积m3/mol123.3

3、   等张比容(90.2K):47.2

4、   表面张力dyne/cm47.2

5、   极化率10-24cm314.53

计算化学数据

1.疏水参数计算参考值(XlogP):1.9

2.氢键供体数量:1

3.氢键受体数量:2

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37.3

7.重原子数量:9

8.表面电荷:0

9.复杂度:107

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

4,4,4-三氯丁酸 下游产品

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产品介绍:
产品名称:4,4,4-三氯丁酸 Cas号:2345-32-6 纯度: 包装信息:洽谈 价格:洽谈
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