methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
Basic information
- CAS
1198605-53-6- Standard SMILES
COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1- InChIKey
FHFIOJIHWCKHMQ-UHFFFAOYSA-N- Molecular formula
- C12H18BNO4
- Average molar mass
- 251.09 g/mol
- Monoisotopic mass
- 251.13288846
Names & identifiers
- Preferred name
- methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
- English name
- Methyl 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
- Molecular formula
- C12H18BNO4
- Molecular weight
- 251.09
Names & synonyms
1198605-53-6Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylateDTXSID70659322RefChem:355383DTXCID90610071859-653-2MFCD169954091H-Pyrrole-2-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl esterFHFIOJIHWCKHMQ-UHFFFAOYSA-NSCHEMBL9275348AKOS026672494MB18089
Show more names
5-(Methoxycarbonyl)-1H-pyrrole-3-boronic Acid Pinacol Ester
CS-15513DA-17872SY334140CS-0040767C13658EN300-7355352F602028Z2050071525
Database identifiers
- CAS
1198605-53-6- PubChem CID
- 44557754
- DTXSID
DTXSID70659322- EC Number
- 859-653-2
Properties
Computed structural properties
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 393.3 · 393.3±27.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 15.17 · 15.17±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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