Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
Basic information
- CAS
919363-25-0- Standard SMILES
COC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12- InChIKey
LTXKCMSLPBJJJO-UHFFFAOYSA-N- Molecular formula
- C18H21BO4
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 312.1532893
Names & identifiers
- Preferred name
- Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
- IUPAC
- methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
- English name
- 1-Naphthalenecarboxylic acid, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
- Molecular formula
- C18H21BO4
- Molecular weight
- 312.17
Names & synonyms
919363-25-0methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylateRefChem:817213102-680-5Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoateSCHEMBL2382334LTXKCMSLPBJJJO-UHFFFAOYSA-NMFCD22493749AT29481SY463904DB-308371CS-0138242
Show more names
6-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-naphthalene-1-carboxylic acid methyl ester1-Naphthalenecarboxylic acid, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
5-(Methoxycarbonyl)naphthalene-2-boronic Acid Pinacol EsterMethyl 6(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoatemethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-napthoateMethyl6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoate
Database identifiers
- CAS
919363-25-0- PubChem CID
- 58828895
- EC Number
- 102-680-5
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
2 records
Compound notes
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