Basic information
- CAS
850589-31-0- Standard SMILES
CC(C)NS(=O)(=O)c1ccc(B(O)O)cc1- InChIKey
PMNOLRUYDNBEFQ-UHFFFAOYSA-N- Molecular formula
- C9H14BNO4S
- Average molar mass
- 243.09 g/mol
- Monoisotopic mass
- 243.07365933
Names & identifiers
- Preferred name
- (4-(N-Isopropylsulfamoyl)phenyl)boronic acid
- IUPAC
- [4-(propan-2-ylsulfamoyl)phenyl]boronic acid
- English name
- 4-(N-Isopropylsulfamoyl)phenylboronic acid
- Molecular formula
- C9H14BNO4S
- Molecular weight
- 243.09
Names & synonyms
850589-31-0(4-(N-Isopropylsulfamoyl)phenyl)boronic acidN-Isopropyl 4-boronobenzenesulfonamide4-(N-ISOPROPYLSULFAMOYL)PHENYLBORONIC ACID4-(Isopropylsulphonamido)benzeneboronic acidMFCD07363752{4-[(Propan-2-yl)sulfamoyl]phenyl}boronic acid[4-(propan-2-ylsulfamoyl)phenyl]boronic acidSCHEMBL387619DTXSID50657285PMNOLRUYDNBEFQ-UHFFFAOYSA-NGS4167
Show more names
(4-(N-Isopropylsulfamoyl)4-Borono-N-isopropylbenzenesulphonamide4-(isopropylsulfamoyl)phenylboronic acid4-(isopropylsulfonamido)phenylboronic acid4-(Isopropylsulfonamido)benzeneboronic acid4-(Isopropylsulphonamido)benzeneboronicacid98%4-(N-ISOPROPYLSULPHONAMIDO)BENZENEBORONIC ACID
AKOS015833527AB30691[4-(isopropylsulfamoyl)phenyl]boronic acid(4-(N-Isopropylsulfamoyl)phenyl)boronicacidDB-339867CS-0175078F76223F447493
Database identifiers
- CAS
850589-31-0- PubChem CID
- 44119552
- DTXSID
DTXSID50657285
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 136 · 136-140
- Boiling point
- 424.975 · 424.975±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.319 · 1.319±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- solid
- pka
- 7.942 · 7.942±0.16(predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(Isopropylsulfamoyl)benzeneboronic acid, is used as coupling catalyst used in the synthesis of a number of organic compounds. Also used as fine intermediate.
Suppliers24 total
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
2 records
Compound notes
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