52710-27-7 (对丙基苯甲酰氯,4-n-Propylbenzoyl chloride)

CAS号:
52710-27-7
中文名称:
对丙基苯甲酰氯
英文名称:
4-n-Propylbenzoyl chloride
安全信息:
分子式:
C10H11ClO
分子量:
182.646742105484

对丙基苯甲酰氯(52710-27-7)名称与标识符

名称

中文别名:
对丙基苯甲酰氯;4-丙基苯甲酰氯;4-正丙基苯甲酰氯;
英文别名:
p-Propylbenzoyl chloride;Benzoyl chloride, 4-propyl-;4-n-Propylbenzoyl chloride;4-Propylbenzene-1-carbonyl chloride;4-Propylbenzoyl chloride;J-515972;4-propyl-1-benzenecarbonyl chloride;4-Propyl benzoyl chloride;NZYPCJXREKMMCJ-UHFFFAOYSA-;FT-0619439;MFCD00000698;4-PROPYL-BENZOYLCHLORID;DTXSID9068790;AS-58762;4-Propylbenzoylchloride;InChI=1/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3;SCHEMBL1019681;F20464;4-(n-propyl)benzoyl chloride;A829216;F0001-1360;52710-27-7;4-n-Propylbenzoylchloride;AKOS015890460;DB-052172;DTXCID0041270;

标识符

MDL:
MFCD00000698
InChIKey:
NZYPCJXREKMMCJ-UHFFFAOYSA-N
Inchi:
1S/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3
SMILES:
ClC(C1C=CC(=CC=1)CCC)=O
BRN:
2206452

对丙基苯甲酰氯(52710-27-7)物化性质

实验特性

  • LogP : 3.01810
  • PSA : 17.07000
  • 折射率 : n20/D 1.5394(lit.)
  • 水溶性 : Reacts with water. Soluble in hot hexane, toluene, dichloromethane.
  • 沸点 : 135-136 °C20 mm Hg(lit.)
  • 闪点 : >230 °F
  • 颜色与性状 : 液体
  • 溶解性 : 与水反应
  • 敏感性 : Moisture Sensitive
  • 密度 : 1.097 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 182.05000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 182.049843
  • 重原子数量 : 12
  • 复杂度 : 148
  • 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) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.1

对丙基苯甲酰氯(52710-27-7)安全信息

对丙基苯甲酰氯(52710-27-7)国际标准相关数据

EINECS:
24854994

对丙基苯甲酰氯(52710-27-7)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

对丙基苯甲酰氯(52710-27-7)上下游

对丙基苯甲酰氯(52710-27-7)参考资料

Beilstein:
MFCD00000698
PubChem CID:

对丙基苯甲酰氯(52710-27-7) MSDS

基础信息

Name:4-Propylbenzoyl Chloride 99+% (Titr.) Material Safety Data Sheet
Synonym:None
CAS:52710-27-7
Section 1 - Chemical Product ? MSDS Name:4-Propylbenzoyl Chloride 99+% (Titr.) Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
52710-27-7Benzoyl Chloride, 4-Propyl->99unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or alcohol-resistant 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. 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. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
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# 52710-27-7: 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: pale-yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 125 deg C @ 9.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 121 deg C (> 249.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0970g/cm3
Molecular Formula: C10H11ClO
Molecular Weight: 182.65

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:
Alcohols, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, phosgene gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 52710-27-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzoyl Chloride, 4-Propyl- - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 28 After contact with skin, wash immediately
with...
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 52710-27-7: No information available.
Canada
CAS# 52710-27-7 is listed on Canada's NDSL List.
CAS# 52710-27-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52710-27-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A