93102-96-6 (2-氨基-1-(2-氟苯基)乙酮盐酸盐,2-Amino-1-(2-fluorophenyl)ethanone hydrochloride)

快速询单

结构式：

2-氨基-1-(2-氟苯基)乙酮盐酸盐MOL文件

CAS号：

93102-96-6

中文名称：

2-氨基-1-(2-氟苯基)乙酮盐酸盐

英文名称：

2-Amino-1-(2-fluorophenyl)ethanone hydrochloride

分子式：

C₈H₉ClFNO

分子量：

189.614564657211

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)名称与标识符

名称

中文别名：

2-氨基-1-(2-氟苯基)乙酮盐酸盐;

英文别名：

2-Amino-1-(2-fluorophenyl)ethanone hydrochloride;2-FLUOROPHENACYLAMINE HYDROCHLORID;2-Fluorophenacylamine hydrochloride;2-amino-1-(2-fluorophenyl)ethan-1-one hydrochloride;2-AMINO-1-(2-FLUOROPHENYL)ETHANONE HCL;2-Fluorophenacylamine, HCl;GFHFMCRPNVXGFL-UHFFFAOYSA-N;PC4573;SBB091010;AX8218930;AB0027720;ST;Ethanone, 2-amino-1-(2-fluorophenyl)-, hydrochloride (9CI);

标识符

MDL：

MFCD08532458

InChIKey：

GFHFMCRPNVXGFL-UHFFFAOYSA-N

Inchi：

1S/C8H8FNO.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4H,5,10H2;1H

SMILES：

Cl.O=C(CN)C1C(F)=CC=CC=1

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)物化性质

实验特性

LogP : 2.46940
PSA : 43.09000

计算特性

精确分子量 : 189.03600
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 2
重原子数量 : 12
复杂度 : 149
拓扑分子极性表面积 : 43.1

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)海关数据

海关编码：

2922399090

海关数据：

中国海关编码：

2922399090

概述：

2922399090 其他氨基醛、氨基酮及其盐（包括氨基醌及其盐，但含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary：

2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)推荐厂家更多厂家(15)

公司名称	手机号/电话	联系人	QQ	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	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
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	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
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)合成路线

合成路线：1 步

89204-88-6

_83%

93102-96-6

反应条件：

1.1 Reagents: Hydrochloric acid

参考文献：

Syntheses of 2-mercapto-4-substituted imidazole derivatives with antiinflammatory properties

Maeda, Sadao; Suzuki, Mamoru; Iwasaki, Tameo; Matsumoto, Kazuo; Iwasawa, Yoshio, Chemical & Pharmaceutical Bulletin, 1984, 32(7), 2536-43

合成路线：1 步

655-15-2

_66%

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Dichloromethane ; 15 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Ethanol ; 72 h, rt

参考文献：

An approach to the synthesis of 4-aryl and 5-aryl substituted thiazole-2(3H)-thiones employing flow processing

Balti, Monaem; Miller, Shelli A.; Efrit, Mohamed Lotfi; Leadbeater, Nicholas E., RSC Advances, 2016, 6(76), 72165-72169

合成路线：1 步

655-15-2

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Chloroform ; 2 h, 50 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; 2 h, rt → reflux

参考文献：

Double C-S bond formation via multiple Csp3-H bond cleavage: synthesis of 4-hydroxythiazoles from amides and elemental sulfur under metal-free conditions

Chen, Liang; Xuchen, Xinyu; Wang, Fei; Yang, Yuan; Deng, Guobo; et al, Organic & Biomolecular Chemistry, 2021, 19(46), 10068-10072

合成路线：1 步

655-15-2

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Chloroform ; 50 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; reflux

参考文献：

Design, synthesis and evaluation of novel 5-phenylthiophene derivatives as potent fungicidal of Candida albicans and antifungal reagents of fluconazole-resistant fungi

Yin, Wenbo; Zhang, Yuxin; Cui, Hengxian; Jiang, Hong; Liu, Lei; et al, European Journal of Medicinal Chemistry, 2021, 225,

合成路线：1 步

655-15-2

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Chloroform ; 2 h, 50 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; 4 h, reflux

参考文献：

Combating fluconazole-resistant fungi with novel β-azole-phenylacetone derivatives

Zhao, Liyu; Sun, Nannan; Tian, Linfeng; Sun, Yin; Chen, Yixuan; et al, European Journal of Medicinal Chemistry, 2019, 183,

合成路线：1 步

655-15-2

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Chloroform ; rt; 15 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; 96 h, rt

参考文献：

New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure

Campiani, Giuseppe; Nacci, Vito; Bechelli, Susanna; Ciani, Silvia M.; Garofalo, Antonio; et al, Journal of Medicinal Chemistry, 1998, 41(20), 3763-3772

合成路线：1 步

655-15-2

93102-96-6

反应条件：

1.1 Reagents: Hexamethylenetetramine Solvents: Chloroform

参考文献：

Anomalous reaction of pentafluorophenacyl bromide with hexamethylenetetramine. Structure of the product

Henry, Ronald A.; Hollins, Richard A.; Lowe-Ma, Charlotte; Moore, Donald W.; Nissan, Robin A., Journal of Organic Chemistry, 1990, 55(6), 1796-801

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6)上下游

邻氟苯乙酮

2-氨基-1-(2-氟苯基)乙酮盐酸盐(93102-96-6) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 2-Fluorophenacylamine, HCl
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-Fluorophenacylamine, HCl
CAS number: 93102-96-6

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.
    Store in closed vessels, refrigerated.
    Storage:

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
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C8H8FNO.ClH
    Molecular weight:        189.6

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