尼麦角林杂质D

尼麦角林杂质D 基本信息
CAS号 131805-94-2 分子式 C10H5BrF6O
分子量 335.04100 精确质量  333.94300
PSA  17.07000 LogP  4.30180

基本信息 展开↓

CAS号:
131805-94-2
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分子式:
C10H5BrF6O
分子量:
335.04100
中文名称:
尼麦角林杂质D
英文名称:
3',5'-Bis(trifluoromethyl)-2-bromoacetophenone
中文别名:
尼麦角林杂质D;
ALPHA 溴代3,5-二三氟甲基苯乙酮;
3',5'-双(三氟甲基)-2-溴苯乙酮;
2-溴-1-3,5-二(三氟甲基)苯基乙酮;
3`, 5`-双(三氟甲基)-2-溴苯乙酮;
2-溴-1-[3,5-二(三氟甲基)苯基]-1-乙酮
英文别名:
3',5'-Bis(trifluoromethyl)-2-bromoacetophenone;
1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone;
2-Bromo-1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one
精确分子量/精确质量:
333.94300
极性分子表面积/PSA:
17.07000
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。
InChI:
The Key: ZEKBFXJTIAEUOF-UHFFFAOYSA-N

物化性质展开↓

熔点:
44-46ºC

安全信息展开↓

危险类别码:
R34
安全说明:
S26-S36/37/39-S45

合成路线查看所有的合成路线

  • 30071-93-3

    3,5-双三氟甲基苯乙酮

  • ~88%

  • 131805-94-2

    尼麦角林杂质D

  • 1246224-45-2

    1-(bromoethynyl)-3,5-bis(trifluoromethyl)benzene

  • ~76%

  • 131805-94-2

    尼麦角林杂质D

  • 186581-53-3

    重氮甲烷

  • +

  • 725-89-3

    3,5-双三氟甲基苯甲酸

  • 131805-94-2

    尼麦角林杂质D

MSDS 展开↓

Name: 2-Bromo-1-[3 5-di(trifluoromethyl)phenyl]ethan-1-one 95+% Material Safety Data Sheet
Synonym: 3,5-Bis(triflluoromethyl)phenacylbromid
CAS: 131805-94-2
Section 1 - Chemical Product   MSDS Name:2-Bromo-1-[3 5-di(trifluoromethyl)phenyl]ethan-1-one 95+% Material Safety Data Sheet
Synonym:3,5-Bis(triflluoromethyl)phenacylbromid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
131805-94-2 2-Bromo-1-[3,5-di(trifluoromethyl)phen 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# 131805-94-2: 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: 44 - 46 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: C10H5BrF6O
Molecular Weight: 335

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 131805-94-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one - 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# 131805-94-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 131805-94-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 131805-94-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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