850567-97-4 (2-甲基亚磺酰苯基硼酸,2-(Methylsulfinyl)phenylboronic Acid)

快速询单

结构式：

2-甲基亚磺酰苯基硼酸MOL文件

CAS号：

850567-97-4

中文名称：

2-甲基亚磺酰苯基硼酸

英文名称：

2-(Methylsulfinyl)phenylboronic Acid

分子式：

C₇H₉BO₃S

分子量：

184.020560979843

2-甲基亚磺酰苯基硼酸(850567-97-4)名称与标识符

名称

中文别名：

2-(甲基亚磺酰)苯硼酸;2-(甲基亚磺酰基)苯硼酸;2-甲基亚磺酰苯基硼酸;(2-(甲基亚磺酰基)苯基)硼酸;

英文别名：

(2-(Methylsulfinyl)phenyl)boronic acid;2-(Methylsulfinyl)benzeneboronic acid;(2-Methylsulfinylphenyl)boronic acid;2-(methylsulfinyl)phenylboronic acid;2-(METHYLSULPHINYL)BENZENEBORONIC ACID;2-Methylsulfinylphenylboronic acid;Boronic acid,B-[2-(methylsulfinyl)phenyl]-;C7H9BO3S;[2-(methylsulfinyl)phenyl]boronic acid;(2-methanesulfinylphenyl)boronic acid;PubChem1874;PHORKVSBWZGTEX-UHFFFAOYSA-N;WT840;STK503730;FCH918600;SBB052544;AB13630;B-[2-(Methylsulfinyl)phenyl]boronic acid (ACI);Boronic acid, [2-(methylsulfinyl)phenyl]- (9CI);

标识符

MDL：

MFCD03095261

InChIKey：

PHORKVSBWZGTEX-UHFFFAOYSA-N

Inchi：

1S/C7H9BO3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3

SMILES：

O=S(C)C1C(B(O)O)=CC=CC=1

2-甲基亚磺酰苯基硼酸(850567-97-4)物化性质

实验特性

LogP : -0.03050
PSA : 76.74000
水溶性 : Slightly soluble in water.
沸点 : 440.5°C at 760 mmHg
熔点 : 118-122°C

计算特性

精确分子量 : 184.03700
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 2
重原子数量 : 12
复杂度 : 174
拓扑分子极性表面积 : 76.7

2-甲基亚磺酰苯基硼酸(850567-97-4)安全信息

2-甲基亚磺酰苯基硼酸(850567-97-4)海关数据

海关编码：

29319090

2-甲基亚磺酰苯基硼酸(850567-97-4)推荐厂家更多厂家(17)

公司名称	手机号/电话	联系人	QQ	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
湖北诺纳科技有限公司	17386169806 027-59209883	张经理	1141855188	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	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
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	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-甲基亚磺酰苯基硼酸(850567-97-4)合成路线

合成路线：1 步

168618-42-6

_70%

850567-97-4

1073-29-6

反应条件：

1.1 Reagents: 2-(Methylsulfinyl)phenol , Oxygen Catalysts: Iron, (α-hydroxy-α-phenylbenzeneacetato-κO,κO′)[tris(3,5-diphenyl-1H-pyrazolato-…

参考文献：

Oxygenation of Organoboronic Acids by a Nonheme Iron(II) Complex: Mimicking Boronic Acid Monooxygenase Activity

Chatterjee, Sayanti; et al, Inorganic Chemistry, 2015, 54(20), 9727-9732

2-甲基亚磺酰苯基硼酸(850567-97-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
  2-Methylsul?nylphenylboronic acid
    Product Name:
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    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.
    2-Methylsul?nylphenylboronic acid
    Ingredient name:
    CAS number:        850567-97-4

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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.
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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.

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
    Not speci?ed
    Appearance:
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula:        C7H9BO3S
    Molecular weight:        184.0

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

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