41051-20-1 (4-氯-3-氧代丁酸异丙酯,Butanoic acid,4-chloro-3-oxo-, 1-methylethyl ester)

快速询单

结构式：

4-氯-3-氧代丁酸异丙酯MOL文件

CAS号：

41051-20-1

中文名称：

4-氯-3-氧代丁酸异丙酯

英文名称：

Butanoic acid,4-chloro-3-oxo-, 1-methylethyl ester

分子式：

C₇H₁₁ClO₃

分子量：

178.613441705704

4-氯-3-氧代丁酸异丙酯(41051-20-1)名称与标识符

名称

中文别名：

4-氯-3-氧代丁酸异丙酯;

英文别名：

Butanoic acid,4-chloro-3-oxo-, 1-methylethyl ester;ISOPROPYL 4-CHLORO-3-OXOBUTANOATE;propan-2-yl 4-chloro-3-oxobutanoate;Isopropyl 4-chloroacetoacetate;AKOS006229768;Butanoic acid, 4-chloro-3-oxo-, 1-methylethyl ester;41051-20-1;FT-0627473;NS00061631;4-chloroacetoacetic isopropyl ester;isopropyl chloroacetoacetate;SCHEMBL1037280;DTXSID6068274;

标识符

InChIKey：

GSNGPDOWIOPXDR-UHFFFAOYSA-N

Inchi：

1S/C7H11ClO3/c1-5(2)11-7(10)3-6(9)4-8/h5H,3-4H2,1-2H3

SMILES：

ClCC(CC(=O)OC(C)C)=O

4-氯-3-氧代丁酸异丙酯(41051-20-1)物化性质

实验特性

LogP : 1.13600
PSA : 43.37000
沸点 : 65 °C
闪点 : 84.8°C
密度 : 1.152

计算特性

精确分子量 : 178.04000
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 5
同位素质量 : 178.039672
重原子数量 : 11
复杂度 : 154
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.4
拓扑分子极性表面积 : 43.4

4-氯-3-氧代丁酸异丙酯(41051-20-1)安全信息

4-氯-3-氧代丁酸异丙酯(41051-20-1)推荐厂家更多厂家(3)

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4-氯-3-氧代丁酸异丙酯(41051-20-1) MSDS

基础信息

Name:	Isopropyl 4-chloro-3-oxobutanoate tech Material Safety Data Sheet
Synonym:	Isopropyl 4-chloroacetoacetat
CAS:	41051-20-1

Section 1 - Chemical Product ? MSDS Name:Isopropyl 4-chloro-3-oxobutanoate tech Material Safety Data Sheet
Synonym:Isopropyl 4-chloroacetoacetat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
41051-20-1	Isopropyl 4-chloro-3-oxobutanoate		unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 41051-20-1: 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: Liquid
Color: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 65 deg C @25mmHg
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: 1.152
Molecular Formula: C7H11ClO3
Molecular Weight: 179

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 41051-20-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Isopropyl 4-chloro-3-oxobutanoate - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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.
WGK (Water Danger/Protection)
CAS# 41051-20-1: No information available.
Canada
CAS# 41051-20-1 is listed on Canada's NDSL List.
CAS# 41051-20-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41051-20-1 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A