134615-22-8 (1-乙基-2-苯基吲哚,(S)-1-(3-Bromophenyl)ethanol)

CAS号:
134615-22-8
中文名称:
1-乙基-2-苯基吲哚
英文名称:
(S)-1-(3-Bromophenyl)ethanol
分子式:
C8H9BrO
分子量:
201.060461759567

1-乙基-2-苯基吲哚(134615-22-8)名称与标识符

名称

中文别名:
(S)-1-(3-溴苯基)乙醇;(S)-3-溴-alpha-甲基苄醇;(S)-3-溴-α-甲基苄醇;1-乙基-2-苯基吲哚;
英文别名:
(S)-1-(3-Bromophenyl)ethanol;(S)-3'-BROMO-Α-METHYLBENZYL ALCOHOL;Benzenemethanol,3-bromo-a-methyl-, (aS)-;SC1263;(-)-1-(3-Bromophenyl)ethanol;(alphaS)-3-Bromo-alpha-methylbenzenemethanol;134615-22-8;(1S)-1-(3-bromophenyl)ethanol;A887872;Z803153180;EN300-66858;AMY10621;(1S)-1-(3-bromophenyl)ethan-1-ol;ULMJQMDYAOJNCC-LURJTMIESA-N;DTXSID10928685;MFCD06201859;AKOS010603347;DS-16104;SCHEMBL852720;(S)-1-(3-bromophenyl)ethan-1-ol;

标识符

MDL:
MFCD06201859
InChIKey:
ULMJQMDYAOJNCC-LURJTMIESA-N
Inchi:
1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
SMILES:
BrC1=CC=CC(=C1)[C@H](C)O

1-乙基-2-苯基吲哚(134615-22-8)物化性质

实验特性

  • LogP : 2.50240
  • PSA : 20.23000
  • 折射率 : 1.572
  • 沸点 : 264 ºC
  • 闪点 : 114 ºC
  • 颜色与性状 : 无色液体
  • 溶解性 : 无可用
  • 密度 : 1.470

计算特性

  • 精确分子量 : 199.98400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 199.983678
  • 重原子数量 : 10
  • 复杂度 : 105
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 2.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 20.2

1-乙基-2-苯基吲哚(134615-22-8)安全信息

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1-乙基-2-苯基吲哚(134615-22-8) MSDS

基础信息

Name:(S)-3-Bromo-alpha-methylbenzyl alcohol 95% (98% e.e.) Material Safety Data Sheet
Synonym:(S)-1-(3-Bromophenyl)ethano
CAS:134615-22-8
Section 1 - Chemical Product ? MSDS Name:(S)-3-Bromo-alpha-methylbenzyl alcohol 95% (98% e.e.) Material Safety Data Sheet
Synonym:(S)-1-(3-Bromophenyl)ethano

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
134615-22-8(S)-3-Bromo-alpha-methylbenzyl alcohol95%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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 water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 134615-22-8: 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: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C8H9BrO
Molecular Weight: 201.06

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 134615-22-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-3-Bromo-alpha-methylbenzyl alcohol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 134615-22-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 134615-22-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 134615-22-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A