944900-06-5 (2-氯-6-(三氟甲基)烟醛,2-Chloro-6-(trifluoromethyl)nicotinaldehyde)

快速询单

结构式：

2-氯-6-(三氟甲基)烟醛MOL文件

CAS号：

944900-06-5

中文名称：

2-氯-6-(三氟甲基)烟醛

英文名称：

2-Chloro-6-(trifluoromethyl)nicotinaldehyde

分子式：

C₇H₃ClF₃NO

分子量：

209.553031206131

2-氯-6-(三氟甲基)烟醛(944900-06-5)名称与标识符

名称

中文别名：

2-氯-6-(三氟甲基)烟醛;

英文别名：

2-Chloro-6-(trifluoromethyl)nicotinaldehyde;2-Chloro-6-(trifluoromethyl)nicotildehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carbaldehyde;2-Chloro-6-trifluoromethyl-pyridine-3-carbaldehyde;XGRYCVUVCDXRIW-UHFFFAOYSA-N;6177AC;AB54677;AK103239;2-Chloro-6-(trifluoromethyl)-3-pyridinecarboxaldehyde (ACI);

标识符

MDL：

MFCD09907845

InChIKey：

XGRYCVUVCDXRIW-UHFFFAOYSA-N

Inchi：

1S/C7H3ClF3NO/c8-6-4(3-13)1-2-5(12-6)7(9,10)11/h1-3H

SMILES：

O=CC1C(Cl)=NC(C(F)(F)F)=CC=1

2-氯-6-(三氟甲基)烟醛(944900-06-5)物化性质

实验特性

LogP : 2.56630
PSA : 29.96000

计算特性

精确分子量 : 208.98600
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 1
重原子数量 : 13
复杂度 : 197
拓扑分子极性表面积 : 30

2-氯-6-(三氟甲基)烟醛(944900-06-5)推荐厂家更多厂家(15)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海绩祥生物科技有限公司	18605105771	李经理	1799924424	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单

2-氯-6-(三氟甲基)烟醛(944900-06-5)合成路线

合成路线：1 步

1005171-62-9

_97%

944900-06-5

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; -78 °C; 30 min, -78 °C → -20 °C

参考文献：

Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same and their preparation

, World Intellectual Property Organization, , ,

合成路线：1 步

39890-95-4

68-12-2

_95%

944900-06-5

反应条件：

1.1 Reagents: Butyllithium , Diisopropylethylamine Solvents: Tetrahydrofuran , Hexane ; -78 °C

参考文献：

Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration

Matsufuji, Tetsuyoshi ; Shimada, Kousei; Kobayashi, Shozo; Kawamura, Asuka; Fujimoto, Teppei; et al, Bioorganic & Medicinal Chemistry Letters, 2014, 24(3), 750-755

合成路线：1 步

917396-39-5

_88%

944900-06-5

反应条件：

1.1 Reagents: Silica , Pyridinium chlorochromate Solvents: Dichloromethane ; 4 h, rt

参考文献：

Pyridyl carboxamide derivative compounds with nematicidal activity

, World Intellectual Property Organization, , ,

合成路线：1 步

917396-39-5

_81%

944900-06-5

反应条件：

1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ; 3 h, rt

参考文献：

Fluoroisoquinoline substituted thiazole compounds as protein kinase B inhibitors and their preparation, pharmaceutical compositions and use in the treatment of PKB-mediated diseases

, World Intellectual Property Organization, , ,

合成路线：1 步

386704-06-9

_33%

944900-06-5

反应条件：

1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene ; -78 °C; 1 h, -78 °C; -78 °C → 0 °C
1.2 Reagents: Acetic acid Solvents: Water ; 2 h, 0 °C

参考文献：

Preparation of 7-phenoxychroman carboxylic acid derivatives for treating and preventing immunological diseases

, World Intellectual Property Organization, , ,

2-氯-6-(三氟甲基)烟醛(944900-06-5)上下游

2-氯-6-三氟甲基烟酸 2-氯-6-三氟甲基烟腈 2-氯-6-(三氟甲基)吡啶 N,N-二甲基甲酰胺

2-氯-6-(三氟甲基)烟醛(944900-06-5) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 2-Chloro-6-(tri?uoromethyl)pyridine-3-carbaldehyde
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloro-6-(tri?uoromethyl)pyridine-3-carbaldehyde
CAS number: 944900-06-5

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C7H3ClF3NO
    Molecular weight: 209.6

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen ?uoride.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A