Basic information
- CAS
40138-16-7- Standard SMILES
O=Cc1ccccc1B(O)O- InChIKey
DGUWACLYDSWXRZ-UHFFFAOYSA-N- Molecular formula
- C7H7BO3
- Average molar mass
- 149.94 g/mol
- Monoisotopic mass
- 150.04882448
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Formylphenylboronic acid
- IUPAC
- (2-formylphenyl)boronic acid
- English name
- 2-Formylbenzeneboronic acid
- Molecular formula
- C7H7BO3
- Molecular weight
- 149.94
Names & synonyms
2-Formylphenylboronic acid40138-16-7o-formylphenylboronic acidRefChem:472715628-526-1(2-formylphenyl)boronic acid2-Formylbenzeneboronic acid2-BoronobenzaldehydeBoronic acid, (2-formylphenyl)-MFCD00151822MT69HY4FNFBoronic acid, B-(2-formylphenyl)-
Show more names
Formylbenzeneboronic acidNSC 157839AKOS BRN-0109RARECHEM AH PB 01922-Formylbenzeneboron2-formylphenylboronicForMylphenylboronic aci
NSC-157839Benzeneboronic acid, o-formyl-B-(2-Formylphenyl)boronic acidO-FORMYLBENZENEBORONIC ACIDUNII-MT69HY4FNF2-FPBABenzaldehyde-2-boronic AcidCHEMBL139725
Database identifiers
- CAS
40138-16-7- PubChem CID
- 292189
- DTXSID
DTXSID30901733- ChEMBL
CHEMBL139725
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
- 115 · 115-120 °C (lit.)
- Boiling point
- 355.7 · 355.7±44.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in methanol.
- form
- Crystalline Powder or Needles and Chunks
- pka
- 8.18 · 8.18±0.53(Predicted)
- color
- Light yellow to light orange-pink
- Sensitive
- Air Sensitive
- BRN
- 3030776 · 3030776
- InChI
- 1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H
- InChIKey
- DGUWACLYDSWXRZ-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccccc1C=O
- CAS DataBase Reference
- 40138 · 40138-16-7(CAS DataBase Reference)
- FDA UNII
- 69 HY4FNF · MT69HY4FNF
- UNSPSC Code
- 12352103 · 12352103
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBoronic acid, (2-formylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29319090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Usessuzuki reaction
Uses2-Formylbenzeneboronic acid is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
179 records
Compound notes
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