4-庚氧基苯甲酰氯

4-庚氧基苯甲酰氯 基本信息
CAS号 40782-54-5 分子式 C14H19ClO2
分子量 254.75200 精确质量  254.10700
PSA  26.30000 LogP  4.41480

基本信息 展开↓

CAS号:
40782-54-5
3D弹球模型:
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分子式:
C14H19ClO2
分子量:
254.75200
中文名称:
4-庚氧基苯甲酰氯
英文名称:
4-heptoxybenzoyl chloride
中文别名:
4-庚氧基苯甲酰氯;
4-正庚氧基苯甲酰氯;
对庚氧基苯甲酰氯
英文别名:
4-heptoxybenzoyl chloride;
4-heptyloxybenzoic acid chloride;
EINECS 255-077-5;
4-(n-heptyloxy)benzoyl chloride;
p-heptyloxybenzoyl chloride;
4-heptyloxy benzoyl chloride;
4-(Heptyloxy)benzoic chloride
精确分子量/精确质量:
254.10700
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
255-077-5
InChI:
The Key: OTHIDQZVUQAMEW-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明淡黄色液体
密度:
1.066g/cm3
熔点:
226-227ºC
沸点:
348ºC at 760mmHg
闪点:
131ºC
折射率:
n20/D 1.533(lit.)

安全信息展开↓

包装等级:
III
海关代码:
2918990090
危险类别码:
34-36/37
安全说明:
26-27-28-36/37/39-45
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 15872-42-1

    4-正庚氧基苯甲酸

  • ~83%

  • 40782-54-5

    4-庚氧基苯甲酰氯

  • 629-04-9

    1-溴代庚烷

  • +

  • 99-96-7

    乙酰水杨酸杂质A

  • 40782-54-5

    4-庚氧基苯甲酰氯

  • 67399-84-2

    methyl 4-heptoxybenzoate

  • 40782-54-5

    4-庚氧基苯甲酰氯

MSDS 展开↓

Name: 4-Heptyloxybenzoyl chloride 99% Material Safety Data Sheet
Synonym: None
CAS: 40782-54-5
Section 1 - Chemical Product   MSDS Name:4-Heptyloxybenzoyl chloride 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40782-54-5 4-heptyloxybenzoyl chloride 99 255-077-5
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. 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. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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 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. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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.
Extinguishing Media:
Do NOT get water inside containers. In case of fire, use carbon dioxide, dry chemical powder or appropriate 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. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Do not allow contact with water.
Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Corrosives area. Keep containers tightly closed. Store protected from moisture. Store in a cool, dry area away from incompatible substances.

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# 40782-54-5: 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 prevent skin exposure.
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: clear light yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 226.0 - 227.0 deg C @ 30.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: May decompose.
Specific Gravity/Density: 1.0610g/cm3
Molecular Formula: C14H19ClO2
Molecular Weight: 254.76

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, moisture, strong oxidants.
Incompatibilities with Other Materials:
Moisture, water, alcohols, oxidizing agents, strong bases.
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# 40782-54-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-heptyloxybenzoyl chloride - 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, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

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 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 40782-54-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40782-54-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40782-54-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 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
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

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:8

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:17

8.表面电荷:0

9.复杂度:210

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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