76350-90-8 (联苯醇,2-Methyl-3-biphenylmethanol)

结构式:
CAS号:
76350-90-8
中文名称:
联苯醇
英文名称:
2-Methyl-3-biphenylmethanol
分子式:
C14H14O
分子量:
198.260364055634

联苯醇(76350-90-8)名称与标识符

名称

中文别名:
联苯醇;2-甲基-3-羟甲基联苯;2-甲基-3-苯基苯甲醇;3-羟甲基-2-甲基联苯;联苯菊酯代谢物;2-甲基-3-苯基苯甲醇 标准品;3-Hydroxymethyl-2-methylbiphenyl 3-羟甲基-2-甲基联苯;2-甲基-(1,1'-联苯)-3-甲醇;2-甲基联苯-3-甲醇;
英文别名:
(2-Methyl-[1,1'-biphenyl]-3-yl)methanol;Bifenthrin alcohol;2-methyl-3-biphenylmethanol;3-Hydroxymethyl-2-methylbiphenyl;2-Methyl-3-biphenylm;2-METHYL-3-BIPHENYLMETHANOL,WHITE SOLID;2-Methylbiphenyl-3-methanol;(2-methyl-3-phenylphenyl)methanol;(2-Methyl-3-biphenylyl)methanol;[1,1'-Biphenyl]-3-methanol, 2-methyl-;(2-methylbiphenyl-3-yl)methanol;BGTLHJPGBIVQLJ-UHFFFAOYSA-N;(2-methyl-3-phenyl-phenyl)methanol;(1,1'-Biphenyl)-3-methanol, 2-methyl-;2-Methyl-3-hydroxymethyldiphenyl;(2-methyl-3-phenylphenyl)methan-1-ol;PubChem7465;SCHEM;2-Methyl[1,1'-biphenyl]-3-methanol;(2-methyl-3phenylphenyl)methanol;FT-0615848;InChI=1/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3;O10051;DTXSID3074101;A838678;2-methyl-3-biphenylyl methanol;AMY13550;BDBM50504097;(2-methyl-3-phenyl-phenyl)methanol;2-Methyl-3-biphenylmethanol;BP Alcohol;AC-23995;CS-0092461;MFCD00134200;(2-Methyl[1,1'-biphenyl]-3-yl)methanol;CHEMBL4092122;3-(Hydroxymethyl)-2-methyl-1,1-biphenyl;(2-Methyl-[1,1 inverted exclamation mark -biphenyl]-3-yl)methanol;AKOS015890329;AS-14208;(2-Methyl[1,1'-biphenyl]-3-yl)methanol #;FT-0631215;2-Methyl-3-biphenylmethyanol;SCHEMBL358303;BGTLHJPGBIVQLJ-UHFFFAOYSA-;SY052566;76350-90-8;2-Methyl-3-Biphenyl Methanol;NS00067153;H0777;{2-METHYL-[1,1'-BIPHENYL]-3-YL}METHANOL;Bifenthrin alcohol metabolite;DB-021327;

标识符

MDL:
MFCD00134200
InChIKey:
BGTLHJPGBIVQLJ-UHFFFAOYSA-N
Inchi:
1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
SMILES:
OCC1=CC=CC(C2C=CC=CC=2)=C1C

联苯醇(76350-90-8)物化性质

实验特性

  • LogP : 3.15430
  • PSA : 20.23000
  • 折射率 : 1.587
  • 沸点 : 330.9°C at 760 mmHg
  • 熔点 : 72.0 to 75.0 deg-C
  • 闪点 : 143°C
  • 颜色与性状 : 固体。
  • 溶解性 : 不溶于水,溶于乙醇,苯,甲苯。
  • 密度 : 1.072

计算特性

  • 精确分子量 : 198.10400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 198.104465
  • 重原子数量 : 15
  • 复杂度 : 184
  • 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) : 3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 20.2

联苯醇(76350-90-8)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2906299090

概述:

2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

联苯醇(76350-90-8)生产方法和用途

方法:
2-甲基-(1,1′-联苯)-3-甲醇是由3-氯-2-甲基联苯与金属镁反应生成格氏试剂,再与聚甲醛二乙酸酯反应得到产品。将3-氯-2-甲基联苯与四氢呋喃加入反应器,再加入新鲜的金属镁和回收的金属镁进行回流5h后,再加入聚甲醛二乙酸酯,继续回流数小时,冷却进行后处理,蒸馏得到产品,收率可达70.8%。此外也可用3-氯-2-甲基联苯为原料,与氰化亚铜在吡啶存在下反应生成3-氰基-2-甲基联苯,先还原得到2-甲基-联苯-3-甲醛,进一步还原得2-甲基-(1,1′-联苯)-3-甲醇。也可以用2-甲基-3-硝基苯甲醇为原料,先加氢还原成2-甲基-3-氨基苯甲醇,在亚硝酸钠、碘化钾和铜粉存在下进行Sander Mayer反应,生成3-碘-2-甲基苯甲醇,然后在光反应器中在紫外灯照射下,与苯反应生成2-甲基(1,1′-联苯)-3-甲醇。反应方程式牟取见图:
用途:
2-甲基-(1,1′-联苯)-3-甲醇是杀虫剂联苯菊酯的中间体。
生产方法:
2-甲基-(1,1′-联苯)-3-甲醇是由3-氯-2-甲基联苯与金属镁反应生成格氏试剂,再与聚甲醛二乙酸酯反应得到产品。

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联苯醇(76350-90-8)相关文献

联苯醇(76350-90-8)参考资料

Reaxys RN:
6800988
Beilstein:
H156895
PubChem CID:

联苯醇(76350-90-8) MSDS

基础信息

  3-Hydroxymethyl-2-methylbiphenyl
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        3-Hydroxymethyl-2-methylbiphenyl    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3-Hydroxymethyl-2-methylbiphenyl    
  Percent:        >98.0%(GC)    
  CAS Number:        76350-90-8    
  Synonyms:        2-Methylbiphenyl-3-methanol    
  Chemical Formula:        C14H14O    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  3-Hydroxymethyl-2-methylbiphenyl

Section 5. FIRE-FIGHTING MEASURES
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        White - Slightly pale reddish yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:72°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  3-Hydroxymethyl-2-methylbiphenyl

Section 10. STABILITY AND REACTIVITY
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  3-Hydroxymethyl-2-methylbiphenyl


SECTION 16 - ADDITIONAL INFORMATION
N/A