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Basic information
- CAS
118803-40-0- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)B(O)OC2- InChIKey
GFFKBQCIGADRSN-UHFFFAOYSA-N- Molecular formula
- C7H6BNO4
- Average molar mass
- 178.94 g/mol
- Monoisotopic mass
- 179.03898807
Names & identifiers
- Preferred name
- 6-Nitro-2,1-benzoxaborol-1(3H)-ol
- IUPAC
- 6-Nitro-2,1-benzoxaborol-1(3H)-ol
- English name
- (2-Hydroxymethyl-5-nitro)benzeneboronic acid dehydrate
- Molecular formula
- C7H6BNO4
- Molecular weight
- 178.94
Names & synonyms
6-NITRO-3H-2,1-BENZOXABOROL-1-OL1-HYDROXY-6-NITRO-2,1-BENZOXABOROLANE6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol1-hydroxy-6-nitro-3H-2,1-benzoxaborole2-Hydroxymethyl-5-nitrophenylboronic acid1,3-Dihydro-1-hydroxy-6-nitro-2,1-benzoxaborole2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-6-nitro-1-hydroxy-6-nitro-3a,7a-dihydro-3H-2,1-benzoxaborole2-Hydroxymethyl-5-nitrophenylboronic acid, dehydrated(2-HYDROXYMETHYL-5-NITRO)PHENYLBORONIC ACID, DEHYDRATE
Database identifiers
- CAS
118803-40-0- PubChem CID
- 3813634
- DTXSID
DTXSID90396782- ChEMBL
CHEMBL4175131- EC Number
- 692-708-7
Properties
Physicochemical properties
- Melting point
- 178 · 178-181°C
- Boiling point
- 330.6 · 330.6±52.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- pka
- 5.9 · 5.90±0.20(Predicted)
- form
- Solid
- color
- Light Beige
- InChI
- InChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2
- InChIKey
- GFFKBQCIGADRSN-UHFFFAOYSA-N
- SMILES
- B1(O)C2=CC([N+]([O-])=O)=CC=C2CO1
- 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
- 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 statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Hydroxymethyl-5-nitrophenylboronic Acid, dehydrated can be used as reactant/reagent for imprinted polymers as protecting groups for regioselective modification of polyfunctional substrates.
Upstream & downstream products
Downstream products
Suppliers63 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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