4-Chloro-DL-mandelic acid

物化性质

熔点：

114-118 °C

存储条件/存储方法：

密封于阴凉干燥处。

稳定性相关：

遵照规格使用和储存则不会分解。

其它信息：

1. 性状：白色针状结晶。

2. 密度（g/mL,25/4℃）： 无可用

3. 相对蒸汽密度（g/mL,空气=1）：无可用

4. 熔点（ºC）：119-122

5. 沸点（ºC,常压）：无可用

6. 沸点（ºC,5.2kPa）： 无可用

7. 折射率： 无可用

8. 闪点（ºC）： 无可用

9. 比旋光度（º）：无可用

10. 自燃点或引燃温度（ºC）：无可用

11. 蒸气压（kPa,25ºC）：无可用

12. 饱和蒸气压（kPa,60ºC）：无可用

13. 燃烧热（KJ/mol）：无可用

14. 临界温度（ºC）：无可用

15. 临界压力（KPa）：无可用

16. 油水（辛醇/水）分配系数的对数值：无可用

17. 爆炸上限（%,V/V）：无可用

18. 爆炸下限（%,V/V）： 无可用

19. 溶解性：溶于乙醇、乙醚和热苯，略溶于水，微溶于冷苯和二硫化碳。

安全信息

熔点：

114-118 °C

存储条件/存储方法：

密封于阴凉干燥处。

稳定性相关：

遵照规格使用和储存则不会分解。

其它信息：

1. 性状：白色针状结晶。

2. 密度（g/mL,25/4℃）： 无可用

3. 相对蒸汽密度（g/mL,空气=1）：无可用

4. 熔点（ºC）：119-122

5. 沸点（ºC,常压）：无可用

6. 沸点（ºC,5.2kPa）： 无可用

7. 折射率： 无可用

8. 闪点（ºC）： 无可用

9. 比旋光度（º）：无可用

10. 自燃点或引燃温度（ºC）：无可用

11. 蒸气压（kPa,25ºC）：无可用

12. 饱和蒸气压（kPa,60ºC）：无可用

13. 燃烧热（KJ/mol）：无可用

14. 临界温度（ºC）：无可用

15. 临界压力（KPa）：无可用

16. 油水（辛醇/水）分配系数的对数值：无可用

17. 爆炸上限（%,V/V）：无可用

18. 爆炸下限（%,V/V）： 无可用

19. 溶解性：溶于乙醇、乙醚和热苯，略溶于水，微溶于冷苯和二硫化碳。

毒理性

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

4-Chloro-DL-mandelic AcidRevision number: 1
SAFETY DATA SHEET
Section1. BASE INFORMATION
Product name:4-Chloro-DL-mandelic Acid
Revision number:1
Section2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
Pictograms or hazard symbols
Signal wordWarning
Hazard statementCauses skin irritation
Causes serious eye irritation
Precautionary statements
[Prevention]Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response]IF IN EYES: 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.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Component(s):4-Chloro-DL-mandelic Acid
Percent:>98.0%(T)
CAS Number:7138-34-3
Chemical Formula:C8H7ClO3
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. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
4-Chloro-DL-mandelic Acid
Section4. FIRST AID MEASURES
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.
Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth.
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:
Specific hazards:Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: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: Remove movable
containers 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 Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.
Section7. HANDLING AND STORAGE
Handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling:Avoid contact with skin, eyes and clothing.
Storage
Keep container tightly closed. Store in a cool and dark place.
Storage conditions:
Store away from incompatible materials such as oxidizing agents.
Law is followed.
Packaging material:
Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection:Protective gloves.
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):Solid
Form:crystal - powder
Color:White - Almost white
Odor:No data available
pH: No data available
Melting point/freezing point:120 °C
Boiling Point/Range:No data available
4-Chloro-DL-mandelic Acid
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Flash Point:No data available
Explosive limits
Lower:No data available
No data available
Upper:
Density:No data available
No data available
Solubility:
Section10. STABILITY AND REACTIVITY
Stability:Stable under proper conditions.
Reactivity:No special reactivity has been reported.
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
Products:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
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
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):
Mobillity in soil
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 dissolve or mix material
with a combustible solvent and 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:Does not correspond to the classification standard of the United Nations
UN-No:Not Listed
Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
4-Chloro-DL-mandelic Acid
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：43.79

2、 摩尔体积（m³/mol）：127.0

3、 等张比容（90.2K）：356.9

4、 表面张力（dyne/cm）：62.2

5、 极化率（10^-24cm³）：17.36

计算化学数据

1、 疏水参数计算参考值（XlogP）：1.2

2、 氢键供体数量：2

3、 氢键受体数量：3

4、 可旋转化学键数量：2

5、 拓扑分子极性表面积（TPSA）：57.5

6、 重原子数量：12

7、 表面电荷：0

8、 复杂度：164

9、 同位素原子数量：0

10、 确定原子立构中心数量：0

11、 不确定原子立构中心数量：1

12、 确定化学键立构中心数量：0

13、 不确定化学键立构中心数量：0

14、 共价键单元数量：1