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6,7-二甲氧基-1H-喹唑啉-4-酮 | 13794-72-4

6,7-二甲氧基-1H-喹唑啉-4-酮
6,7-dimethoxy-3,4-dihydroquinazolin-4-one
13794-72-4
C10H10N2O3
206.1980
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:6,7-二甲氧基-1H-喹唑啉-4-酮结构式
6,7-二甲氧基-1H-喹唑啉-4-酮MOL
135495016
名称和标识符
MDL MFCD01570147
InChIKey DMSRMHGCZUXCMJ-UHFFFAOYSA-N
Inchi 1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
SMILES O(C([H])([H])[H])C1=C(C([H])=C2C(C(N([H])C([H])=N2)=O)=C1[H])OC([H])([H])[H]
BRN 882100
别名信息
- 中文别名 -
  • 6,7-二甲氧基-1H-喹唑啉-4-酮
  • 6,7-二甲氧基喹唑啉-4-酮
  • 6,7-二甲氧基-4-(1H)-喹唑啉酮
  • 6,7-二甲氧基-4-喹唑酮
  • 6,7-二甲氧基-4-(3H)喹唑啉酮
  • 6,7-二甲氧基-3H-喹唑啉-4-酮
  • 6,7-Dimethoxy-3H-quinazolin-4-one 6,7-二甲氧基-3H-喹唑啉-4-酮
  • 6,7-二甲氧基-3,4-二氢喹唑啉-4-酮
  • 6,7-二甲氧基-4(1H)-喹唑啉酮
  • 6,7-二甲氧基-4(3H)-喹唑啉酮
  • 6,7-二甲氧基喹唑啉-4-酮,6,7-Dimethoxy-3,4-dihydroquinazoline-4-one
  • 6,7-二甲氧基喹唑啉酮
  • 吉非替尼杂质
  • 吉非替尼中间体2
  • 氯化铥(III)
  • 6,7-二甲氧基-4-羟基喹唑啉
  • 吉非替尼杂质 E
  • 6,7-二甲氧基喹啉酮
  • 7-二甲氧基-4-喹唑酮
  • 6,7-二甲氧基-4-喹唑啉酮
  • 6,7-二甲氧基-4-喹啉酮,97%
  • 6,7-二甲氧基喹唑啉-4-酮 5G
- 英文别名 -
  • 6,7-Dimethoxy-1H-quinazolin-4-one
  • 6,7-DIMETHOXY-3,4-DIHYDROQUINAZOLIN-4-ONE
  • 6,7-DIMETHOXY-3H-QUINAZOLIN-4-ONE
  • 6,7-DIMETHOXY-4(1H)-QUINAZOLINONE
  • 6,7-DIMETHOXY-4(3H)-QUINAZOLINONE
  • 6,7-Dimethoxy-3,4-dihydroquinazoline-4-one
  • 3H-6,7-dimethoxyquinazolin-4-one
  • 6,7-dimethoxy quinazolin-3H-4-one
  • 6,7-dimethoxy-4-hydroxyquinazoline
  • 6,7-Dimethoxy-4-quinazolone
  • 6,7-Dimethoxyquinazolin-4(1H)-one
  • 6,7-dimethoxyquinazolin-4(3H)-one
  • 6,7-dimethoxyquinazolin-4-ol
  • 6,7-Dimethoxyquinazoline-4-one
  • 6,7-Dimethoxy-4-quinazolinol
  • 4(1H)-Quinazolinone,6,7-dimethoxy- (9CI)
  • 6,7-Dimethoxyquinazoline-4(3H)-one
  • BUTTPARK 47\08-40
  • Gefitinib iMpurity E
  • Gefitinib Impurity 4
  • Gefitinib interMediate II
  • 6,7-DiMethoxy-1H-quinazol...
  • 6,7-dimethoxy-4-quinazolinone
  • 4-amino-N-propan-2-ylbenzamide
  • 7-DiMethoxy-1H-quinazolin-4-one
  • 6,7-dimethoxy-quinazolin-4-ol
  • 6,7-dimethoxy 4(1h)-quinazolinone
  • 4(1H)-Quinazolinone, 6,7-dimethoxy-
  • 6,7-dimethoxy-3-hydroquinazoli
  • 6,7-Dimethoxy-3,4-dihydroquinazolin-4-one
  • 6,7-Dimethoxy-4-hydroxyquinazoline
  • 6,7-Dimethoxy-4(3H)-quinazolinone
  • 6,7-dimethoxyquinazoline-4-one
  • 6,7-dimethoxy-3,4-dihydroquinazolin-4-one
  • 6,7-dimethoxy-4-(3H)-quinazolinone
  • FT-0636961
  • 4(3H)-QUINAZOLINONE, 6,7-DIMETHOXY-
  • 6,7-dimethoxyquinazolin-4(1H)-one
  • VU0512855-1
  • 6,7-Dimethoxy-3H-quinazolin-4-one
  • D3816
  • Z56939172
  • CS-M1056
  • 6,7-Dimethoxy-3,4-dihydroquinazoline-4-one
  • HMS1757K19
  • AKOS001039206
  • MFCD07776135
  • SDCCGMLS-0065808.P001
  • 6,7-dimethoxy-3H-quinazoline-4-one
  • 6,7-Dimethoxy-4-oxo-3,4-dihydroquinazoline
  • 6,7-dimethoxy-3,4-dihydro-quinazolin-4-one
  • F3183-0036
  • Maybridge3_001466
  • 6,7-dimethoxy-4(3H)-quinazolone
  • 6,7-dimethoxy-4(3h)-quinazolinone
  • 6,7-dimethoxy-4(1h)-quinazolinone
  • CCG-242418
  • Oprea1_495367
  • DS-0458
  • V6TY85H8PJ
  • HMS1435C14
  • 10N-834
  • BRD-K50145870-001-01-2
  • BCP26603
  • 6.7-Dimethoxy quinazolin-4-one
  • SENNIDINEB
  • AC-352
  • SB10029
  • 6,7-dimethoxy-3,4-dihydroquinazolin-4one
  • PB21752
  • 6,7-dimethoxyquinazolin-4(3h)-one
  • MFCD01570147
  • AKOS000117115
  • 6,7-dimethoxy-4 (3H)-quinazolinone
  • J-007081
  • DMSRMHGCZUXCMJ-UHFFFAOYSA-N
  • 13794-72-4
  • IDI1_012853
  • 6,7-dimethoxy-1H-quinazolin-4-one
  • 6,7-dimethoxy-4-quinazolone
  • 6,7-dimethoxyquinazolin4-one
  • DTXSID60363547
  • 6,7-dimethoxy-4-(3H) quinazolinone
  • PS-4400
  • 6,7-dimethoxy-3,4-dihydroquinazolin4-one
  • EN300-06937
  • J-518172
  • 6,7-dimethoxy-quinazolin-4-one
  • 6 pound not7-Dimethoxy-1H-quinazolin-4-one
  • AM20020454
  • AKOS015919528
  • 6,7-dimethoxy-4-(3H)quinazolinone
  • SY007177
  • SCHEMBL8917
  • Gefitinib Impurity
  • A807319
  • 6,7-DIMETHOXYQUINAZOLINE-4-ONE
  • 6,7-dimethoxyquinazolin-4-one
  • CHEMBL1949861
物化性质
实验特性
LogP 0.94030
PSA 64.21000
沸点 374.1°C at 760 mmHg
熔点 298°C(lit.)
闪点 221.0±25.9 °C
颜色与性状 White to Yellow Solid
敏感性 对空气敏感
密度 1.33
计算特性
精确分子量 206.06900
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 2
同位素质量 206.069
重原子数量 15
复杂度 280
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) 0.7
拓扑分子极性表面积 59.9
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

生产方法和用途
用途 吉非替尼中间体。
专业数据库参考
PubChemId 135495016
参考资料
Reaxys RN 882100
Beilstein 25(5)3,29
6,7-二甲氧基-1H-喹唑啉-4-酮 MSDS
基础信息
  6,7-Dimethoxy-3H-quinazolin-4-one      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        6,7-Dimethoxy-3H-quinazolin-4-one    
    
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        6,7-Dimethoxy-3H-quinazolin-4-one    
  Percent:        >98.0%(HPLC)(T)    
  CAS Number:        13794-72-4    
  Synonyms:        6,7-Dimethoxy-4(3H)-quinazolinone , 6,7-Dimethoxy-3,4-dihydroquinazolin-4-one ,    
    6,7-Dimethoxy-4-hydroxyquinazoline , 6,7-Dimethoxy-4-quinazolinol
  Chemical Formula:        C10H10N2O3    
  6,7-Dimethoxy-3H-quinazolin-4-one

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. Gently wash with plenty of    
    soap and water. 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.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  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.
  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
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    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
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
    Comply with laws.
  Packaging material:

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.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
  6,7-Dimethoxy-3H-quinazolin-4-one

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
    White - Very pale yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:298°C
    No data available
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  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    
    No data available
  NTP =
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  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.
  6,7-Dimethoxy-3H-quinazolin-4-one

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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