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Basic information
- CAS
179055-26-6- Standard SMILES
CON(C)C(=O)c1ccc(B(O)O)cc1- InChIKey
PISDDPDFGJLSQA-UHFFFAOYSA-N- Molecular formula
- C9H12BNO4
- Average molar mass
- 209.01 g/mol
- Monoisotopic mass
- 209.08593826
Names & identifiers
- Preferred name
- 4-(N,O-Dimethylhydroxylaminocarbonyl)phenylboronic acid
- IUPAC
- [4-[methoxy(methyl)carbamoyl]phenyl]boronic acid
- English name
- 4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID
- Molecular formula
- C9H12BNO4
- Molecular weight
- 209.01
Names & synonyms
179055-26-64-(N,O-Dimethylhydroxylaminocarbonyl)phenylboronic acid[4-[methoxy(methyl)carbamoyl]phenyl]boronic acid4-(methoxy(methyl)carbamoyl)phenylboronic acidMFCD04115671(4-(METHOXY(METHYL)CARBAMOYL)PHENYL)BORONIC ACID4-[methoxy(methyl)carbamoyl]phenylboronic acid{4-[methoxy(methyl)carbamoyl]phenyl}boronic acid4-[Methoxy(methyl)carbamoyl]benzeneboronic acid4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONICACIDSCHEMBL130927DTXSID40394910
Show more names
N-Methoxy-N-Methyl 4-boronobenzamide4-Borono-(N-methoxy-N-methyl)benzamide4-[Methoxy(methyl)carbamoyl]benzeneboronicacid97%4-[Methoxy(methyl)carbamoyl]benzeneboronic acid 97%4-[(methoxymethylamino)carbonyl]phenyl]-Boronic acid4-(N,O-Dimethylhydroxyaminocarbonyl)phenylboronic acid4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)BENZENEBORONIC ACID4-(N,O-Dimethylhydroxylcarbamoyl)benzeneboronic acid, 97%
PISDDPDFGJLSQA-UHFFFAOYSA-NAKOS015893851AB20365SY3794554-[Methoxy(methyl)carbamoyl]benzeneboronicDB-010634I12615F218975
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 118 · 118-124
- Boiling point
- 438.2 · 438.2±47.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.83 · 7.83±0.16(Predicted)
- CAS DataBase Reference
- 179055 · 179055-26-6
- 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
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers32 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
2 records
Compound notes
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