1-ó4-(溴甲基)苯-1H-吡唑

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

1-ó4-(溴甲基)苯-1H-吡唑 基本信息

中文名称:
1-ó4-(溴甲基)苯-1H-吡唑 
中文别名:
1-ó4-(溴甲基)苯-1H-吡唑;
1-[4-(溴甲基)苯基]-1H-吡唑 
英文名称:
1H-Pyrazole,1-[4-(bromomethyl)phenyl]-
英文别名:
1-(4-(Bromomethyl)phenyl)-1H-pyrazole;
1-[4-(Bromomethyl)phenyl]-1H-pyrazole;
1-[4-(bromomethyl)phenyl]pyrazole 
CAS No.:
368869-85-6
分 子 式:
C10H9BrN2
分 子 量:
237.1
精确分子量:
235.99500
PSA:
17.82000
风险术语:
36/37/38-34
分子结构式:
SDS:
查看

1-ó4-(溴甲基)苯-1H-吡唑 物化性质

外观与性状:
白色至淡黄色晶体粉末
密度:
1.44g/cm3
熔点:
77-79ºC
沸点:
315.3ºC at 760 mmHg
闪点:
144.5ºC
折射率:
1.623
其它信息:

1 熔点(ºC):77~79

1-ó4-(溴甲基)苯-1H-吡唑 安全信息

危险类别码:
R36/37/38
安全说明:
26-36/37/39-45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
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)。
:

1-ó4-(溴甲基)苯-1H-吡唑 MSDS

Name: 1-[4-(Bromomethyl)phenyl]-1h-pyrazole 95+% Material Safety Data Sheet
Synonym:
CAS: 368869-85-6
Section 1 - Chemical Product   MSDS Name:1-[4-(Bromomethyl)phenyl]-1h-pyrazole 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
368869-85-6 1-[4-(Bromomethyl)phenyl]-1H-pyrazole 95+% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
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.

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# 368869-85-6: 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: off-white
Odor: perceptible odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 77 - 79 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: C10H9BrN2
Molecular Weight: 237.1

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 368869-85-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[4-(Bromomethyl)phenyl]-1H-pyrazole - 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, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
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# 368869-85-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 368869-85-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 368869-85-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-ó4-(溴甲基)苯-1H-吡唑 分子结构与计算化学数据

分子结构数据

1、 摩尔折射率:58.09

2、 摩尔体积(cm3/mol):164.

3、 等张比容(90.2K):428.2

4、 表面张力(dyne/cm):45.8

5、 极化率(10-24cm3):23.03

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:1

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17.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:155

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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