基本信息
CAS号：
1217501-48-8
分子式：
C10H16BNO4S
分子量：
257.11434173584
名称与标识
名称
中文别名：
4-(N-异丙基磺酰基)-2-甲基苯硼酸;
英文别名：
(4-(N-Isopropylsulfamoyl)-2-methylphenyl)boronic acid;4-(N-Isopropylsulfamoyl)-2-methylphenylboronic acid;AKOS015838548;DTXSID20681592;[2-methyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid;4-(ISOPROPYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID;(4-(N-Isopropylsulfamoyl)-2-methylphenyl)boronicacid;1217501-48-8;BS-21101;DB-367075;MFCD13195669;{2-Methyl-4-[(propan-2-yl)sulfamoyl]phenyl}boronic acid;CS-0174658;Boronic acid, B-[2-methyl-4-[[(1-methylethyl)amino]sulfonyl]phenyl]-;
标识符
MDL：
MFCD13195669
InChIKey：
WTJJGVBICYULNX-UHFFFAOYSA-N
Inchi：
1S/C10H16BNO4S/c1-7(2)12-17(15,16)9-4-5-10(11(13)14)8(3)6-9/h4-7,12-14H,1-3H3
SMILES：
S(C1C=CC(B(O)O)=C(C)C=1)(NC(C)C)(=O)=O
物化性质
实验特性
- LogP : 0.83320
- PSA : 95.01000
计算特性
- 精确分子量 : 257.08900
- 氢键供体数量 : 3
- 氢键受体数量 : 5
- 可旋转化学键数量 : 4
- 同位素质量 : 257.0893093g/mol
- 重原子数量 : 17
- 复杂度 : 339
- 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
- 拓扑分子极性表面积 : 95Ų
海关数据
海关编码：
2935009090
海关数据：
中国海关编码：
2935009090概述：
2935009090 其他磺（酰）胺. 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:35.0%
申报要素：
品名, 成分含量, 用途
Summary：
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
4-(N-异丙基磺酰基)-2-甲基苯硼酸(1217501-48-8)推荐厂家 更多厂家(7)
| 公司名称 | 手机号/电话 | 联系人 | 微信 | 询单 | |
|---|---|---|---|---|---|
| 赫澎（上海）生物科技有限公司 | 13122891558 186-16545970 | 张硕 |  3418426269 |   | 询单 |
| 上海瀚思化工有限公司 | 18939883912 021-34536277 | 顾经理 | 3003949364 |   | 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 |
参考资料
Beilstein：
N180296
PubChem CID：
4-(N-异丙基磺酰基)-2-甲基苯硼酸(1217501-48-8) MSDS
基础信息
Material Safety Data Sheet
Section 1. Identi?cation of the substance
Product Name: 4-(N-Isopropylsulfamoyl)-2-methylphenylboronic acid
Synonyms:
Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
Ingredient name: 4-(N-Isopropylsulfamoyl)-2-methylphenylboronic acid
CAS number: 1217501-48-8
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.
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: C10H16BNO4S
Molecular weight: 257.1
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, 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
Section 1. Identi?cation of the substance
Product Name: 4-(N-Isopropylsulfamoyl)-2-methylphenylboronic acid
Synonyms:
Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
Ingredient name: 4-(N-Isopropylsulfamoyl)-2-methylphenylboronic acid
CAS number: 1217501-48-8
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.
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: C10H16BNO4S
Molecular weight: 257.1
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, 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
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