73866-23-6 (5-溴乙酰水杨酰胺,5-(Bromoacetyl)-2-hydroxybenzamide)

快速询单

结构式：

5-溴乙酰水杨酰胺MOL文件

CAS号：

73866-23-6

中文名称：

5-溴乙酰水杨酰胺

英文名称：

5-(Bromoacetyl)-2-hydroxybenzamide

分子式：

C₉H₈BrNO₃

分子量：

258.06872177124

API：

Labetalol

5-溴乙酰水杨酰胺(73866-23-6)名称与标识符

名称

中文别名：

5-溴乙酰水杨酰胺;5-溴乙酰基-2-羟基苯酰胺;5-溴乙酰水杨酰胺(盐酸拉贝洛尔);5-溴乙酰水杨酰胺（盐酸拉贝洛尔）;

英文别名：

5-(2-Bromoacetyl)-2-hydroxybenzamide;5-(bromoacetyl)-2-hydroxy-benzamid;5-(BROMOACETYL)-2-HYDROXYBENZAMIDE;5-BROMO ACETYL SALICYAMIDE;5-(BROMOACETYL)SALICYLAMIDE;5-Bromoacetylsalicylicamide;5-Bromoacetyl-2-hydroy benzamide;BenzaMide,5-(2-broMoacetyl)-2-hydroxy-;5-Bromoacetyl-2-hydroxybenzamide;5-Bromoacetyl Salicylamide;5-溴乙酰水杨酰胺;CS-W014604;Benzamide, 5-(2-bromoacetyl)-2-hydroxy-;SCHEMBL1809513;EINECS 277-626-8;AC-11001;5-(Bromoacetyl)-2-hydroxybenzene-1-carboximidic acid;AS-11587;5-(bromoacetyl)-salicylamide;AKOS000121578;DTXSID10995014;5-Bromoacetylsalicyamide;AUU6S89FXP;NS00060262;BRN 3286223;Benzamide, 5-(bromoacetyl)-2-hydroxy-;5-(Bromoacetyl)-2-hydroxybenzamide; 5-(2-Bromoacetyl)-2-hydroxybenzamide; 5-(Bromoacetyl)salicylamide;;MFCD00792456;EN300-16612;5-Bromoacetyl salicylamide, AldrichCPR;H10684;W-104442;5-bromoacetylsalicylamide;F0001-1860;73866-23-6;4-10-00-03636 (Beilstein Handbook Reference);

标识符

MDL：

MFCD00792456

InChIKey：

VXWSXLSUWGZOHD-UHFFFAOYSA-N

Inchi：

1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)

SMILES：

BrCC(C1C=CC(O)=C(C(=O)N)C=1)=O

5-溴乙酰水杨酰胺(73866-23-6)物化性质

实验特性

LogP : 1.76900
PSA : 80.39000
折射率 : 1.644
沸点 : 420.2°C at 760 mmHg
熔点 : 200-210 ºC
闪点 : 207.9°C
颜色与性状 : 固体。
溶解性 : 未确定。
密度 : 1.705

计算特性

精确分子量 : 256.96900
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 256.969
重原子数量 : 14
复杂度 : 244
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） : 1.5
互变异构体数量 : 20
表面电荷 : 0
拓扑分子极性表面积 : 80.4A^2

5-溴乙酰水杨酰胺(73866-23-6)安全信息

RTECS号： CV2365900
安全说明： S26-S36/37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H315; H319; H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
危险类别码： R36/37/38：对眼睛、呼吸道和皮肤有刺激作用。
信号词： Warning

5-溴乙酰水杨酰胺(73866-23-6)国际标准相关数据

EINECS：

277-626-8

5-溴乙酰水杨酰胺(73866-23-6)海关数据

海关编码：

2924299090

海关数据：

中国海关编码：

2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%

申报要素：

品名, 成分含量, 用途, 包装

Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

5-溴乙酰水杨酰胺(73866-23-6)生产方法和用途

用途：

重要的医药中间体，用于柳胺心定等药物的制造。

5-溴乙酰水杨酰胺(73866-23-6)推荐厂家更多厂家(73)

公司名称	手机号/电话	联系人	QQ	询单
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武汉华玖医药科技有限公司	15527230951 027-59220200	王妍	3317219330	询单
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西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145	询单
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成都大道三灵生物科技有限公司	18108108965 028-6727-1278	钱经理（微信同号）	3003803754	询单

5-溴乙酰水杨酰胺(73866-23-6)上下游

5-乙酰基水杨酰胺

5-溴乙酰水杨酰胺(73866-23-6)参考资料

Beilstein：

MFCD00792456

PubChem CID：

198556

5-溴乙酰水杨酰胺(73866-23-6) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 5-Bromoacetyl salicylamide
Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed
    H315:        Causes skin irritation
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    Avoid breathing dust/fume/gas/mist/vapours/spray
    P261:
    P280:        Wear protective gloves/protective clothing/eye protection/face protection
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
    P405:        Store locked up

Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromoacetyl salicylamide
CAS number: 73866-23-6

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.
    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:        C9H8BrNO3
    Molecular weight:        258.1

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 bromide.

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