α-氯丙烯酸甲酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

α-氯丙烯酸甲酯 基本信息

中文名称:
α-氯丙烯酸甲酯 
中文别名:
2-氯丙烯酸甲酯;
2-氯代丙烯酸甲酯;
alpha-氯丙烯酸甲酯;
Α-氯丙烯酸甲酯 
英文名称:
METHYL ALPHA-CHLOROACRYLATE
英文别名:
2-?Propenoic acid, 2-?chloro-?, methyl ester;
2-Chloroacrylic acid,methyl ester;
Acrylic acid,2-chloro-,methyl ester;
2-Propenoic acid,2-chloro-,methyl ester;
methyl 2-chloropropenoate;
Methyl-2-chloroacrylate;
Methyl 2-chloro-2-propenoate 
CAS No.:
80-63-7
分 子 式:
C4H5ClO2
分 子 量:
120.53
精确分子量:
119.99800
PSA:
26.30000
EINECS:
201-298-7
InChI:
InChI=1/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
风险术语:
R34; R26; R24/25; R10
分子结构式:
SDS:
查看

α-氯丙烯酸甲酯 物化性质

密度:
1.155g/cm3
沸点:
124.6ºC at 760 mmHg
闪点:
39.7ºC
折射率:
1.426
存储条件/存储方法:

密封贮藏,储存在阴凉、干燥地方,远离火源。

稳定性相关:

遇热分解。

其它信息:

1.       性状:无色至淡黄色透明液体

2.       密度(g/mL,25):1.189

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,50mmHg):52

7.       折射率(n20/D):未确定

8.       闪点(ºC):33

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,40ºC):未确定

12.    饱和蒸气压(kPa,125ºC):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

α-氯丙烯酸甲酯 安全信息

包装等级:
II
风险类别:
6.1(a)
危险类别码:
34-26-24/25-10
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S38:在通风不良的场所,佩戴合适的呼吸装置。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T+

α-氯丙烯酸甲酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AS6380000
CHEMICAL NAME :
Acrylic acid, 2-chloro-, methyl ester
CAS REGISTRY NUMBER :
80-63-7
BEILSTEIN REFERENCE NO. :
1421536
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C4-H5-Cl-O2
MOLECULAR WEIGHT :
120.54
WISWESSER LINE NOTATION :
1UYGVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
5 ppm
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - conjunctive irritation
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/m3/2H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/m3/2H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
500 mg/m3/2H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
500 mg/m3/2H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
500 mg/m3/2H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
400 mg/m3/2H/28D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - emphysema Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/m3/2H/28D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - emphysema Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
400 mg/m3/2H/28D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - emphysema Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,113,1980
毒理学数据:

1、皮肤/眼睛刺激性

标准的Draize试验:兔子,皮肤接触:50mg;反应的严重程度:严重。

2、急性毒性:人经吸入TCLo5ppm;大鼠经吸入TCLo5 00mg/m3/2H;猫经吸入LC50500 mg/m3/2H;兔子经吸入LC50500 mg/m3/2H;豚鼠经吸入LC50500 mg/m3/2H

3、其他多剂量毒性:猫经吸入TCLo400mg/m3/2H/28D-I;兔子经吸入TCLo400mg/m3/2H/28D-I;豚鼠经

吸入TCLo400mg/m3/2H/28D-I

4   致突变性

微生物鼠伤寒沙门氏菌突变:1μg/plate

α-氯丙烯酸甲酯 MSDS

Name: Methyl Alpha-Chloroacrylate 99% (GC) Material Safety Data Sheet
Synonym: 2-Chloroacrylic Acid, Methyl Ester; Methyl-Alpha-Chloroacrylate; Methyl-2-Chloroacrylate; Methyl 2-Chloro-2-Propenoate
CAS: 80-63-7
Section 1 - Chemical Product   MSDS Name:Methyl Alpha-Chloroacrylate 99% (GC) Material Safety Data Sheet
Synonym:2-Chloroacrylic Acid, Methyl Ester; Methyl-Alpha-Chloroacrylate; Methyl-2-Chloroacrylate; Methyl 2-Chloro-2-Propenoate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
80-63-7 Methyl-2-Chloroacrylate 99 201-298-7
Hazard Symbols: C
Risk Phrases: 10 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Causes burns.Corrosive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. This material is a vesicant, that is, it will induce blistering. May cause cyanosis of the extremities. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Ingestion of large amounts may cause CNS depression. May cause systemic effects.
Inhalation:
May be fatal if inhaled. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause systemic effects. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. 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. 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:

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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Do not get on skin or in eyes. Do not ingest or inhale.
Use with adequate ventilation. Discard contaminated shoes. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use.
Refrigerator/flammables.

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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 80-63-7: 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 52 deg C @ 50.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 33 deg C ( 91.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H5ClO2
Molecular Weight: 120.54

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 80-63-7: AS6380000 LD50/LC50:
CAS# 80-63-7: Draize test, rabbit, skin: 500 mg Severe; Inhalation, mouse: LC50 = 500 mg/m3/2H; Inhalation, rabbit: LC50 = 500 mg/m3/2H; Inhalation, rat: LC50 = 500 mg/m3/2H; Oral, rat: LD50 = 68 mg/kg; Skin, rabbit: LD50 = 270 mg/kg.
Carcinogenicity:
Methyl-2-Chloroacrylate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S*
Hazard Class: 3 (8)
UN Number: 2924
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
Hazard Class: 3.3 (8)
UN Number: 2924
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2924
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 10 Flammable.
R 34 Causes burns.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 25 Avoid contact with eyes.
S 28 After contact with skin, wash immediately
with...
S 33 Take precautionary measures against static
discharges.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 80-63-7: No information available.
Canada
CAS# 80-63-7 is listed on Canada's NDSL List.
CAS# 80-63-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80-63-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

α-氯丙烯酸甲酯 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):1.5

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:2

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:7

8.表面电荷:0

9.复杂度:97.9

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

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