220461-83-6 (4-(1H-吡唑-1-基)苯甲酰氯,4-(1H-Pyrazol-1-yl)benzoyl Chloride)

CAS号:
220461-83-6
中文名称:
4-(1H-吡唑-1-基)苯甲酰氯
英文名称:
4-(1H-Pyrazol-1-yl)benzoyl Chloride
分子式:
C10H7ClN2O
分子量:
206.62838101387

4-(1H-吡唑-1-基)苯甲酰氯(220461-83-6)名称与标识符

名称

中文别名:
4-(1H-吡唑-1-基)苯甲酰氯;
英文别名:
Benzoyl chloride,4-(1H-pyrazol-1-yl)-;4-(1H-Pyrazol-1-yl)benzoyl chloride;4-pyrazol-1-ylbenzoyl chloride;4-pyrazolylbenzoyl chloride;UHDHZXQMHIQHSO-UHFFFAOYSA-N;MFCD02681936;FT-0616478;4-(1-pyrazolyl)benzoyl chloride;4-(1H-Pyrazol-1-yl)benzoyl chloride, AldrichCPR;SCHEMBL1019716;4-(pyrazol-1-yl)benzoyl chloride;AKOS015900037;220461-83-6;4-(1H-pyrazol-1yl)benzoyl chloride;PS-10727;DTXSID40380111;Benzofuran-2-carboxylic acid;4-(1H-pyrazol-1-yl)benzoylchloride;

标识符

MDL:
MFCD02681936
InChIKey:
UHDHZXQMHIQHSO-UHFFFAOYSA-N
Inchi:
1S/C10H7ClN2O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7H
SMILES:
ClC(C1C=CC(=CC=1)N1C=CC=N1)=O

4-(1H-吡唑-1-基)苯甲酰氯(220461-83-6)物化性质

实验特性

  • LogP : 2.25130
  • PSA : 34.89000
  • 折射率 : 1.624
  • 沸点 : 319.9°Cat760mmHg
  • 熔点 : 118℃
  • 闪点 : 147.2°C
  • 密度 : 1.3

计算特性

  • 精确分子量 : 206.02500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 206.0246905g/mol
  • 重原子数量 : 14
  • 复杂度 : 214
  • 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) : 2.7
  • 拓扑分子极性表面积 : 34.9Ų

4-(1H-吡唑-1-基)苯甲酰氯(220461-83-6)安全信息

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4-(1H-吡唑-1-基)苯甲酰氯(220461-83-6) MSDS

基础信息

Name:4-(1h-pyrazol-1-yl)benzoyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:220461-83-6
Section 1 - Chemical Product ? MSDS Name:4-(1h-pyrazol-1-yl)benzoyl chloride 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
220461-83-64-(1H-Pyrazol-1-yl)benzoyl chloride95+%unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. 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.
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 foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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# 220461-83-6: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 118 - 120 deg C
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:
Molecular Formula: C10H7ClN2O
Molecular Weight: 206.63

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 220461-83-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(1H-Pyrazol-1-yl)benzoyl 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 SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
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 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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 220461-83-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 220461-83-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 220461-83-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A