Basic information
- Standard SMILES
O=Cc1cccc(B(O)O)c1- InChIKey
HJBGZJMKTOMQRR-UHFFFAOYSA-N- Molecular formula
- C7H7BO3
- Average molar mass
- 149.94 g/mol
- Monoisotopic mass
- 150.04882448
Names & identifiers
- Preferred name
- 3-Formylphenylboronic acid
- IUPAC
- (3-formylphenyl)boronic acid
- English name
- 3-Formylphenylboronic acid
- Molecular formula
- C7H7BO3
- Molecular weight
- 149.94
Names & synonyms
3-Formylphenylboronic acid87199-16-4(3-formylphenyl)boronic acidDTXSID10370246RefChem:502084DTXCID00321282628-589-5938-246-43-Formylbenzeneboronic Acid3-BoronobenzaldehydeMFCD001613563-(Dihydroxyboryl)benzaldehyde
Show more names
3-FORMYLBORONIC ACIDAURORA 15117AKOS BRN-0110ZERENEX ZX001648IFLAB-BB F1371-0205TIMTEC-BB SBB004078RARECHEM AH PB 01943-Formylphenylboroni
Boronic acid, (3-formylphenyl)-B-(3-Formylphenyl)boronic Acid; (3-Formylbenzene)boronic Acid; m-Formylphenylboronic Acid3-formylbenzenboronic acid(3-formylphenyl)boronicacid3-formylphenyl-boronic acid3-formyl-benzeneboronic acid3-formylbenzene boronic acid3-formylbenzene-boronic acid
Database identifiers
- CAS
87199-16-4- PubChem CID
- 2734356
- DTXSID
DTXSID10370246- EC Number
- 628-589-5、938-246-4
- Nikkaji
- J812.454J
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 109 · 109-113 °C
- Boiling point
- 354.4 · 354.4±44.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- pka
- 7.83 · 7.83±0.10(Predicted)
- form
- Powder, Crystals, and/or Chunks
- color
- Off-white to beige or light orange
- Sensitive
- Air Sensitive
- BRN
- 3030769 · 3030769
- InChI
- InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
- InChIKey
- HJBGZJMKTOMQRR-UHFFFAOYSA-N
- SMILES
- B(C1=CC=CC(C=O)=C1)(O)O
- CAS DataBase Reference
- 87199 · 87199-16-4(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39-45-37/39-27
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, MOISTURE SENSITIVE
- PackingGroup
- Ⅲ
- HS Code
- 29319090 · 29319090
- 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 (82.7%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (82.7%)
Skin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29319090
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39-45-37/39-27
- hazard_class
- IRRITANT, MOISTURE SENSITIVE
- 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
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Usessuzuki reaction
UsesReagent used: To study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dyeAs exciton-coupled CD probes for epigallocatechin gallateBiological inhibitor of γ-glutamyltranspeptidaseReactant involved in: Palladium-catalyzed homocouplingSuzuki coupling reactions
Uses3-Formylphenylboronic acid can be used as reagent to study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dye and as exciton-coupled CD probes for epigallocatechin gallate Biological inhibitor of γ-glutamyltranspeptidase.
Upstream & downstream products
Upstream raw materials
Downstream products
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