Basic information
- Standard SMILES
O=Cc1ccc(B(O)O)o1- InChIKey
JUWYQISLQJRRNT-UHFFFAOYSA-N- Molecular formula
- C5H5BO4
- Average molar mass
- 139.9 g/mol
- Monoisotopic mass
- 140.02808904
Names & identifiers
- Preferred name
- 5-Formylfuran-2-boronic acid
- IUPAC
- (5-formylfuran-2-yl)boronic acid
- English name
- 2-Formylfuran-5-boronic acid
- Molecular formula
- C5H5BO4
- Molecular weight
- 139.9
Names & synonyms
5-formylfuran-2-boronic acidRefChem:536044628-001-727329-70-02-Formylfuran-5-boronic acid(5-formylfuran-2-yl)boronic acid5-Formyl-2-furanboronic acid5-formyl-2-furylboronic acid5-formyl-2-furanylboronic acidMFCD01114696(5-formyl-2-furyl)boronic acidBoronic acid, (5-formyl-2-furanyl)-
Show more names
FFBAAKOS BRN-0038CHEMBRDG-BB 3200975TIMTEC-BB SBB004171RARECHEM AH PB 02134-Hydroxybenzyl cyanid
Lapatinib Impurity 175-Formylfuran-2-boronicacid5-formylfuran-2-ylboronic acid(5-formyl-2-furanyl)boronic acid5-Borono-2-furaldehyde2-Formyl-5-furanboronic acid7HAA5FN5TDSCHEMBL9221
Database identifiers
- CAS
27329-70-0- PubChem CID
- 2734355
- DTXSID
DTXSID50370245- UNII
- 7HAA5FN5TD
- EC Number
- 628-001-7
- Nikkaji
- J1.512.068A
Properties
Computed structural properties
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 136 °C · 136 °C (dec.) (lit.)
- Boiling point
- 379.3 · 379.3±52.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 1.38 g/l · 1.38g/l
- pka
- 7.11 · 7.11±0.53(Predicted)
- form
- powder
- color
- brown
- Water Solubility
- Insoluble in water.
- Sensitive
- Air Sensitive
- BRN
- 1637050 · 1637050
- InChI
- InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
- InChIKey
- JUWYQISLQJRRNT-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C=O)O1)(O)O
- CAS DataBase Reference
- 27329 · 27329-70-0(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45-37/39-27
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- No
- HazardClass
- IRRITANT, KEEP COLD
- PackingGroup
- Ⅲ
- HS Code
- 29321900 · 29321900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (87.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (87.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- No
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29321900
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-37/39-27
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- Ⅲ
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Usessuzuki reaction
UsesAs a bifunctional reagent used in the synthesis of π -extended heteroarylfuran systems. Reactant involved in Suzuki coupling for synthesis of stable dye-sensitized solar cells. Reactant involved in synthesis of biologically active molecules including, heteroarylation for the synthesis of HIF-1 inhibitors, disalicylic acid-furanyl derivatives to inhibit ephrin binding, HIV-1 integrase inhibitors, epidermal growth factor receptor inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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